9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

C216H120N20O2SSe4 — CID 161021292

IUPAC9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1.N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc(-n2c3ccccc3c3c4oc5cccnc5c4ccc32)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7cccnc7c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6sc7cccnc7c6ccc54)cc3c2c1
InChIInChI=1S/C49H28N4Se.C46H29N3Se.C42H22N4OSe.C42H22N4SSe.C37H19N5O/c50-29-30-18-21-43-37(26-30)34-12-4-7-15-40(34)52(43)32-19-24-46-38(27-32)39-28-33(20-25-47(39)54-46)53-42-17-9-6-14-36(42)49-45(53)23-22-44-48(49)35-13-5-8-16-41(35)51(44)31-10-2-1-3-11-31;1-46(2)36-12-6-3-10-31(36)44-37(46)18-20-41-45(44)32-11-5-8-14-39(32)49(41)29-17-22-43-35(25-29)34-24-28(16-21-42(34)50-43)48-38-13-7-4-9-30(38)33-23-27(26-47)15-19-40(33)48;2*43-23-24-11-15-35-30(20-24)27-6-1-3-8-33(27)45(35)25-12-17-38-31(21-25)32-22-26(13-18-39(32)48-38)46-34-9-4-2-7-28(34)40-36(46)16-14-29-41-37(47-42(29)40)10-5-19-44-41;38-20-22-11-13-32-29(18-22)26-6-1-3-8-30(26)41(32)24-16-23(21-39)17-25(19-24)42-31-9-4-2-7-27(31)35-33(42)14-12-28-36-34(43-37(28)35)10-5-15-40-36/h1-28H;3-25H,1-2H3;2*1-22H;1-19H
InChIKeyTYKDTRZMPRIFID-UHFFFAOYSA-N
MW3375.38 g/mol
LogP53.84
Rot. Bonds11

About 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile

9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (PubChem CID 161021292) has the molecular formula C216H120N20O2SSe4 and a molecular weight of 3375.38 g/mol. Its IUPAC name is 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
PubChem CID161021292
Molecular FormulaC216H120N20O2SSe4
Molecular Weight3375.38 g/mol
Exact Mass3376.63
IUPAC Name9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1.N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc(-n2c3ccccc3c3c4oc5cccnc5c4ccc32)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7cccnc7c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6sc7cccnc7c6ccc54)cc3c2c1
InChIInChI=1S/C49H28N4Se.C46H29N3Se.C42H22N4OSe.C42H22N4SSe.C37H19N5O/c50-29-30-18-21-43-37(26-30)34-12-4-7-15-40(34)52(43)32-19-24-46-38(27-32)39-28-33(20-25-47(39)54-46)53-42-17-9-6-14-36(42)49-45(53)23-22-44-48(49)35-13-5-8-16-41(35)51(44)31-10-2-1-3-11-31;1-46(2)36-12-6-3-10-31(36)44-37(46)18-20-41-45(44)32-11-5-8-14-39(32)49(41)29-17-22-43-35(25-29)34-24-28(16-21-42(34)50-43)48-38-13-7-4-9-30(38)33-23-27(26-47)15-19-40(33)48;2*43-23-24-11-15-35-30(20-24)27-6-1-3-8-33(27)45(35)25-12-17-38-31(21-25)32-22-26(13-18-39(32)48-38)46-34-9-4-2-7-28(34)40-36(46)16-14-29-41-37(47-42(29)40)10-5-19-44-41;38-20-22-11-13-32-29(18-22)26-6-1-3-8-30(26)41(32)24-16-23(21-39)17-25(19-24)42-31-9-4-2-7-27(31)35-33(42)14-12-28-36-34(43-37(28)35)10-5-15-40-36/h1-28H;3-25H,1-2H3;2*1-22H;1-19H
InChIKeyTYKDTRZMPRIFID-UHFFFAOYSA-N
XLogP53.84
TPSA261.92 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003375.38
LogP ≤ 553.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile (CID 161021292) is 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1ccc2[se]c3ccc(-n4c5ccccc5c5cc(C#N)ccc54)cc3c2c1.N#Cc1cc(-n2c3ccccc3c3cc(C#N)ccc32)cc(-n2c3ccccc3c3c4oc5cccnc5c4ccc32)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6oc7cccnc7c6ccc54)cc3c2c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc2[se]c3ccc(-n4c5ccccc5c5c6sc7cccnc7c6ccc54)cc3c2c1.
What is the InChIKey of 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
The InChIKey is TYKDTRZMPRIFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4Se.C46H29N3Se.C42H22N4OSe.C42H22N4SSe.C37H19N5O/c50-29-30-18-21-43-37(26-30)34-12-4-7-15-40(34)52(43)32-19-24-46-38(27-32)39-28-33(20-25-47(39)54-46)53-42-17-9-6-14-36(42)49-45(53)23-22-44-48(49)35-13-5-8-16-41(35)51(44)31-10-2-1-3-11-31;1-46(2)36-12-6-3-10-31(36)44-37(46)18-20-41-45(44)32-11-5-8-14-39(32)49(41)29-17-22-43-35(25-29)34-24-28(16-21-42(34)50-43)48-38-13-7-4-9-30(38)33-23-27(26-47)15-19-40(33)48;2*43-23-24-11-15-35-30(20-24)27-6-1-3-8-33(27)45(35)25-12-17-38-31(21-25)32-22-26(13-18-39(32)48-38)46-34-9-4-2-7-28(34)40-36(46)16-14-29-41-37(47-42(29)40)10-5-19-44-41;38-20-22-11-13-32-29(18-22)26-6-1-3-8-30(26)41(32)24-16-23(21-39)17-25(19-24)42-31-9-4-2-7-27(31)35-33(42)14-12-28-36-34(43-37(28)35)10-5-15-40-36/h1-28H;3-25H,1-2H3;2*1-22H;1-19H.
What are the key properties of 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile?
9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile has a molecular weight of 3375.38 g/mol, XLogP of 53.84, 11 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-cyano-5-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)phenyl]carbazole-3-carbonitrile;9-[8-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-oxa-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile;9-[8-(20-thia-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl)dibenzoselenophen-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 161021292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).