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

C50H29N5 — CID 154958170

IUPAC9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc4)c(C#N)c3)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-20-26-41-40-12-1-5-14-43(40)54(49(41)28-32)36-25-27-37(34(29-36)31-52)33-21-23-35(24-22-33)53-46-17-8-4-13-42(46)50-47(53)18-9-19-48(50)55-44-15-6-2-10-38(44)39-11-3-7-16-45(39)55/h1-29H
InChIKeyRMBUVGIVWRATJL-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

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

9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile (PubChem CID 154958170) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
PubChem CID154958170
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc4)c(C#N)c3)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-20-26-41-40-12-1-5-14-43(40)54(49(41)28-32)36-25-27-37(34(29-36)31-52)33-21-23-35(24-22-33)53-46-17-8-4-13-42(46)50-47(53)18-9-19-48(50)55-44-15-6-2-10-38(44)39-11-3-7-16-45(39)55/h1-29H
InChIKeyRMBUVGIVWRATJL-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-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[2-[3-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080885
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[2-[3-cyano-4-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080172
9-[4-[2-cyano-4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080180
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
9-[9-[9-(4-triphenylsilylphenyl)carbazol-2-yl]carbazol-4-yl]carbazole-2-carbonitrile
CID 166589076
9-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile (CID 154958170) is 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)cccc65)cc4)c(C#N)c3)c2c1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
The InChIKey is RMBUVGIVWRATJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-20-26-41-40-12-1-5-14-43(40)54(49(41)28-32)36-25-27-37(34(29-36)31-52)33-21-23-35(24-22-33)53-46-17-8-4-13-42(46)50-47(53)18-9-19-48(50)55-44-15-6-2-10-38(44)39-11-3-7-16-45(39)55/h1-29H.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile?
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-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-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).