5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile

C50H30N4 — CID 122418251

IUPAC5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)cccc32)c1
InChIInChI=1S/C50H30N4/c51-31-33-25-34(32-52)27-41(26-33)54-47-24-21-38(36-13-6-2-7-14-36)29-45(47)50-42(17-10-18-48(50)54)39-19-22-43-44-28-37(35-11-4-1-5-12-35)20-23-46(44)53(49(43)30-39)40-15-8-3-9-16-40/h1-30H
InChIKeyLIIVWCAPERHMCH-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.63
Rot. Bonds5

About 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile

5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile (PubChem CID 122418251) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile
PubChem CID122418251
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)cccc32)c1
InChIInChI=1S/C50H30N4/c51-31-33-25-34(32-52)27-41(26-33)54-47-24-21-38(36-13-6-2-7-14-36)29-45(47)50-42(17-10-18-48(50)54)39-19-22-43-44-28-37(35-11-4-1-5-12-35)20-23-46(44)53(49(43)30-39)40-15-8-3-9-16-40/h1-30H
InChIKeyLIIVWCAPERHMCH-UHFFFAOYSA-N
XLogP12.63
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(N-phenylanilino)-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418356
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3-(9-methylcarbazol-3-yl)-9-phenyl-5-(9-phenylcarbazol-2-yl)carbazole
CID 126630361
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile (CID 122418251) is 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4ccc5c6cc(-c7ccccc7)ccc6n(-c6ccccc6)c5c4)cccc32)c1.
What is the InChIKey of 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile?
The InChIKey is LIIVWCAPERHMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c51-31-33-25-34(32-52)27-41(26-33)54-47-24-21-38(36-13-6-2-7-14-36)29-45(47)50-42(17-10-18-48(50)54)39-19-22-43-44-28-37(35-11-4-1-5-12-35)20-23-46(44)53(49(43)30-39)40-15-8-3-9-16-40/h1-30H.
What are the key properties of 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile?
5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile has a molecular weight of 686.82 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6,9-diphenylcarbazol-2-yl)-3-phenylcarbazol-9-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 122418251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).