9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile

C50H29N5 — CID 154958752

IUPAC9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C#N)c1
InChIInChI=1S/C50H29N5/c51-30-32-20-24-49-43(26-32)41-14-3-7-18-47(41)53(49)35-11-9-10-33(27-35)38-23-21-36(28-34(38)31-52)54-48-19-8-4-15-42(48)44-29-37(22-25-50(44)54)55-45-16-5-1-12-39(45)40-13-2-6-17-46(40)55/h1-29H
InChIKeyGDTXBZGNXYPGPO-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile

9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 154958752) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
PubChem CID154958752
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C#N)c1
InChIInChI=1S/C50H29N5/c51-30-32-20-24-49-43(26-32)41-14-3-7-18-47(41)53(49)35-11-9-10-33(27-35)38-23-21-36(28-34(38)31-52)54-48-19-8-4-15-42(48)44-29-37(22-25-50(44)54)55-45-16-5-1-12-39(45)40-13-2-6-17-46(40)55/h1-29H
InChIKeyGDTXBZGNXYPGPO-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080660
9-[3-carbazol-9-yl-5-(2,4-dicyanophenyl)phenyl]carbazole-3,6-dicarbonitrile
CID 121312407
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127
9-[4-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155604257
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile (CID 154958752) is 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2C#N)c1.
What is the InChIKey of 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is GDTXBZGNXYPGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-20-24-49-43(26-32)41-14-3-7-18-47(41)53(49)35-11-9-10-33(27-35)38-23-21-36(28-34(38)31-52)54-48-19-8-4-15-42(48)44-29-37(22-25-50(44)54)55-45-16-5-1-12-39(45)40-13-2-6-17-46(40)55/h1-29H.
What are the key properties of 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).