2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole

C185H109FN12O4 — CID 157272378

IUPAC2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc2)c1-n1c2ccccc2c2cc(C)ccc21.[C-]#[N+]c1cccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c5oc6ccccc6c5ccc43)c2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/2C49H29N3O.C44H27N3O.C43H24FN3O/c1-50-41-21-12-20-35(48(41)52-42-22-8-5-17-36(42)37-18-6-9-23-43(37)52)33-15-11-16-34(29-33)51-44-27-25-32(31-13-3-2-4-14-31)30-40(44)47-45(51)28-26-39-38-19-7-10-24-46(38)53-49(39)47;1-50-40-17-11-20-43(52-42-19-9-6-15-36(42)38-28-29-46-48(49(38)52)39-16-7-10-21-45(39)53-46)47(40)32-22-25-34(26-23-32)51-41-18-8-5-14-35(41)37-27-24-33(30-44(37)51)31-12-3-2-4-13-31;1-27-18-24-39-35(26-27)32-11-4-7-16-38(32)47(39)43-30(13-9-14-36(43)45-2)28-19-21-29(22-20-28)46-37-15-6-3-10-31(37)33-23-25-41-42(44(33)46)34-12-5-8-17-40(34)48-41;44-28-18-22-38-35(24-28)31-9-1-4-13-36(31)46(38)29-19-16-26(17-20-29)30-12-7-8-27(25-45)42(30)47-37-14-5-2-11-34(37)41-39(47)23-21-33-32-10-3-6-15-40(32)48-43(33)41/h2*2-30H;3-26H,1H3;1-24H
InChIKeyAYRPCPIZEOREHW-UHFFFAOYSA-N
MW2582.98 g/mol
LogP51.09
Rot. Bonds14

About 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole

2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 157272378) has the molecular formula C185H109FN12O4 and a molecular weight of 2582.98 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID157272378
Molecular FormulaC185H109FN12O4
Molecular Weight2582.98 g/mol
Exact Mass2580.87
IUPAC Name2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESN#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc2)c1-n1c2ccccc2c2cc(C)ccc21.[C-]#[N+]c1cccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c5oc6ccccc6c5ccc43)c2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/2C49H29N3O.C44H27N3O.C43H24FN3O/c1-50-41-21-12-20-35(48(41)52-42-22-8-5-17-36(42)37-18-6-9-23-43(37)52)33-15-11-16-34(29-33)51-44-27-25-32(31-13-3-2-4-14-31)30-40(44)47-45(51)28-26-39-38-19-7-10-24-46(38)53-49(39)47;1-50-40-17-11-20-43(52-42-19-9-6-15-36(42)38-28-29-46-48(49(38)52)39-16-7-10-21-45(39)53-46)47(40)32-22-25-34(26-23-32)51-41-18-8-5-14-35(41)37-27-24-33(30-44(37)51)31-12-3-2-4-13-31;1-27-18-24-39-35(26-27)32-11-4-7-16-38(32)47(39)43-30(13-9-14-36(43)45-2)28-19-21-29(22-20-28)46-37-15-6-3-10-31(37)33-23-25-41-42(44(33)46)34-12-5-8-17-40(34)48-41;44-28-18-22-38-35(24-28)31-9-1-4-13-36(31)46(38)29-19-16-26(17-20-29)30-12-7-8-27(25-45)42(30)47-37-14-5-2-11-34(37)41-39(47)23-21-33-32-10-3-6-15-40(32)48-43(33)41/h2*2-30H;3-26H,1H3;1-24H
InChIKeyAYRPCPIZEOREHW-UHFFFAOYSA-N
XLogP51.09
TPSA128.87 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002582.98
LogP ≤ 551.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Related Compounds

5-[4-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-6-isocyanophenyl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]carbazole
CID 140793941
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile
CID 129291110
5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile;2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-[2-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]benzonitrile;3-([1]benzofuro[3,2-b]carbazol-11-yl)-2-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]benzonitrile;7-[4-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-3-isocyanophenyl]phenyl]-[1]benzofuro[2,3-b]carbazole;11-[4-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-isocyanophenyl]phenyl]-[1]benzofuro[3,2-b]carbazole;5-[4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanophenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;14-[2-isocyano-6-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164961427
5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140794299
3-(2-carbazol-9-yl-5-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;3-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[2,3-a]carbazole;2-carbazol-9-yl-3-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile;3-carbazol-9-yl-4-(12-phenyl-[1]benzofuro[2,3-a]carbazol-3-yl)benzonitrile
CID 159603459
2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
CID 155449823
3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 129300022
9-(2-carbazol-9-yl-6-isocyanophenyl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 153462890
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 140794233
12-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140794053
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[4-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 140793986

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 157272378) is 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole is N#Cc1cccc(-c2ccc(-n3c4ccccc4c4cc(F)ccc43)cc2)c1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1cccc(-c2ccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)cc2)c1-n1c2ccccc2c2cc(C)ccc21.[C-]#[N+]c1cccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4c5oc6ccccc6c5ccc43)c2)c1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c1-c1ccc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is AYRPCPIZEOREHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N3O.C44H27N3O.C43H24FN3O/c1-50-41-21-12-20-35(48(41)52-42-22-8-5-17-36(42)37-18-6-9-23-43(37)52)33-15-11-16-34(29-33)51-44-27-25-32(31-13-3-2-4-14-31)30-40(44)47-45(51)28-26-39-38-19-7-10-24-46(38)53-49(39)47;1-50-40-17-11-20-43(52-42-19-9-6-15-36(42)38-28-29-46-48(49(38)52)39-16-7-10-21-45(39)53-46)47(40)32-22-25-34(26-23-32)51-41-18-8-5-14-35(41)37-27-24-33(30-44(37)51)31-12-3-2-4-13-31;1-27-18-24-39-35(26-27)32-11-4-7-16-38(32)47(39)43-30(13-9-14-36(43)45-2)28-19-21-29(22-20-28)46-37-15-6-3-10-31(37)33-23-25-41-42(44(33)46)34-12-5-8-17-40(34)48-41;44-28-18-22-38-35(24-28)31-9-1-4-13-36(31)46(38)29-19-16-26(17-20-29)30-12-7-8-27(25-45)42(30)47-37-14-5-2-11-34(37)41-39(47)23-21-33-32-10-3-6-15-40(32)48-43(33)41/h2*2-30H;3-26H,1H3;1-24H.
What are the key properties of 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole?
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 2582.98 g/mol, XLogP of 51.09, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-(3-fluorocarbazol-9-yl)phenyl]benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-2-phenyl-[1]benzofuro[3,2-c]carbazole;12-[4-[3-isocyano-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-isocyano-2-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 157272378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).