9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile

C44H27N3 — CID 118330165

IUPAC9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3cccc4c3Cc3ccccc3-4)c2c1
InChIInChI=1S/C44H27N3/c45-27-28-17-20-36-39-25-30(29-18-21-42-38(24-29)35-13-6-7-15-40(35)46(42)32-10-2-1-3-11-32)19-22-43(39)47(44(36)23-28)41-16-8-14-34-33-12-5-4-9-31(33)26-37(34)41/h1-25H,26H2
InChIKeyXFBGMDJLBALTSF-UHFFFAOYSA-N
MW597.72 g/mol
LogP10.99
Rot. Bonds3

About 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile

9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile (PubChem CID 118330165) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
PubChem CID118330165
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3cccc4c3Cc3ccccc3-4)c2c1
InChIInChI=1S/C44H27N3/c45-27-28-17-20-36-39-25-30(29-18-21-42-38(24-29)35-13-6-7-15-40(35)46(42)32-10-2-1-3-11-32)19-22-43(39)47(44(36)23-28)41-16-8-14-34-33-12-5-4-9-31(33)26-37(34)41/h1-25H,26H2
InChIKeyXFBGMDJLBALTSF-UHFFFAOYSA-N
XLogP10.99
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950
9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 140916273
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
The IUPAC name of 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile (CID 118330165) is 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile.
What is the SMILES notation for 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
The canonical SMILES for 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile is N#Cc1ccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3cccc4c3Cc3ccccc3-4)c2c1.
What is the InChIKey of 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
The InChIKey is XFBGMDJLBALTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3/c45-27-28-17-20-36-39-25-30(29-18-21-42-38(24-29)35-13-6-7-15-40(35)46(42)32-10-2-1-3-11-32)19-22-43(39)47(44(36)23-28)41-16-8-14-34-33-12-5-4-9-31(33)26-37(34)41/h1-25H,26H2.
What are the key properties of 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile?
9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile has a molecular weight of 597.72 g/mol, XLogP of 10.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-1-yl)-6-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile is sourced from PubChem (CID 118330165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).