9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

C48H29N5 — CID 139574439

IUPAC9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4cnccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C48H29N5/c49-29-31-20-22-44-41(26-31)38-17-5-6-18-42(38)51(44)35-14-8-10-32(27-35)33-11-9-15-36(28-33)52-45-23-21-39-37-16-4-7-19-43(37)53(34-12-2-1-3-13-34)48(39)47(45)40-24-25-50-30-46(40)52/h1-28,30H
InChIKeyBZYASZFCRIBUSY-UHFFFAOYSA-N
MW675.80 g/mol
LogP11.91
Rot. Bonds4

About 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 139574439) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID139574439
Molecular FormulaC48H29N5
Molecular Weight675.80 g/mol
Exact Mass675.24
IUPAC Name9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4cnccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1
InChIInChI=1S/C48H29N5/c49-29-31-20-22-44-41(26-31)38-17-5-6-18-42(38)51(44)35-14-8-10-32(27-35)33-11-9-15-36(28-33)52-45-23-21-39-37-16-4-7-19-43(37)53(34-12-2-1-3-13-34)48(39)47(45)40-24-25-50-30-46(40)52/h1-28,30H
InChIKeyBZYASZFCRIBUSY-UHFFFAOYSA-N
XLogP11.91
TPSA51.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile with MolForge

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Related Compounds

9-[3-cyano-5-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139574980
9-[3-[3-(20-phenyl-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139575308
9-[3-[3-(9-isocyano-5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822760
9-phenyl-6-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazole-3-carbonitrile
CID 134597965
9-[3-cyano-5-[3-(9-thia-17,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139575283
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543067
3-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542904
3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543110
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
9-[3-cyano-5-[3-(20-oxa-3,6-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574947
5-phenyl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole-10-carbonitrile
CID 134597896
4-[3-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543071

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile (CID 139574439) is 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4cnccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)c1.
What is the InChIKey of 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is BZYASZFCRIBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c49-29-31-20-22-44-41(26-31)38-17-5-6-18-42(38)51(44)35-14-8-10-32(27-35)33-11-9-15-36(28-33)52-45-23-21-39-37-16-4-7-19-43(37)53(34-12-2-1-3-13-34)48(39)47(45)40-24-25-50-30-46(40)52/h1-28,30H.
What are the key properties of 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 675.80 g/mol, XLogP of 11.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(20-phenyl-6,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 139574439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).