9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile

C50H29N5 — CID 154958469

IUPAC9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c(C#N)cccc43)cc2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-26-35(33-20-22-36(23-21-33)53-47-18-8-4-14-42(47)50-34(31-52)10-9-19-49(50)53)28-38(27-32)55-46-17-7-3-13-41(46)43-29-37(24-25-48(43)55)54-44-15-5-1-11-39(44)40-12-2-6-16-45(40)54/h1-29H
InChIKeyIVOWOJFMRSLNBT-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile

9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 154958469) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID154958469
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4c(C#N)cccc43)cc2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-26-35(33-20-22-36(23-21-33)53-47-18-8-4-14-42(47)50-34(31-52)10-9-19-49(50)53)28-38(27-32)55-46-17-7-3-13-41(46)43-29-37(24-25-48(43)55)54-44-15-5-1-11-39(44)40-12-2-6-16-45(40)54/h1-29H
InChIKeyIVOWOJFMRSLNBT-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-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958854
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
3-(4-carbazol-9-ylphenyl)-5-(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)benzonitrile
CID 129290907
3-carbazol-9-yl-2-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]benzonitrile
CID 155079904
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151
9-[2-[2-cyano-5-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080052
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 155080619
9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-fluorophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 147714772
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 154958469) is 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4c(C#N)cccc43)cc2)cc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is IVOWOJFMRSLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-26-35(33-20-22-36(23-21-33)53-47-18-8-4-14-42(47)50-34(31-52)10-9-19-49(50)53)28-38(27-32)55-46-17-7-3-13-41(46)43-29-37(24-25-48(43)55)54-44-15-5-1-11-39(44)40-12-2-6-16-45(40)54/h1-29H.
What are the key properties of 9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-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-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 154958469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).