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

C50H29N5 — CID 147223871

IUPAC9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4c(C#N)cccc43)c2)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C50H29N5/c51-30-33-14-10-26-46-49(33)38-18-3-7-23-43(38)53(46)34-15-9-13-32(29-34)35-20-11-25-45(40(35)31-52)55-44-24-8-4-19-39(44)50-47(27-12-28-48(50)55)54-41-21-5-1-16-36(41)37-17-2-6-22-42(37)54/h1-29H
InChIKeyCHPHAMYRCRXCLW-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 147223871) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID147223871
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4c(C#N)cccc43)c2)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C50H29N5/c51-30-33-14-10-26-46-49(33)38-18-3-7-23-43(38)53(46)34-15-9-13-32(29-34)35-20-11-25-45(40(35)31-52)55-44-24-8-4-19-39(44)50-47(27-12-28-48(50)55)54-41-21-5-1-16-36(41)37-17-2-6-22-42(37)54/h1-29H
InChIKeyCHPHAMYRCRXCLW-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-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[2-cyano-3-[3-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086420
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
9-[3-[5-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 148501028
9-[9-[2-(3-carbazol-9-ylphenyl)-6-cyanophenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 154958107
2-carbazol-9-yl-6-[3-(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 129290941
9-[3-[5-cyano-2-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081657
2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(4-isocyanocarbazol-9-yl)benzonitrile
CID 177256897
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 147223871) is 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1c(-c2cccc(-n3c4ccccc4c4c(C#N)cccc43)c2)cccc1-n1c2ccccc2c2c(-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is CHPHAMYRCRXCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-14-10-26-46-49(33)38-18-3-7-23-43(38)53(46)34-15-9-13-32(29-34)35-20-11-25-45(40(35)31-52)55-44-24-8-4-19-39(44)50-47(27-12-28-48(50)55)54-41-21-5-1-16-36(41)37-17-2-6-22-42(37)54/h1-29H.
What are the key properties of 9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-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-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 147223871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).