6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile

C41H25FN4 — CID 145193461

IUPAC6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)c2[nH]c3c(-c4ccc5c(ccn5-c5ccccc5)c4)cc(F)cc3c2c1
InChIInChI=1S/C41H25FN4/c42-31-23-35(28-12-14-39-30(22-28)16-18-46(39)33-9-5-2-6-10-33)41-37(24-31)36-20-26(25-43)19-34(40(36)44-41)27-11-13-38-29(21-27)15-17-45(38)32-7-3-1-4-8-32/h1-24,44H
InChIKeyWAOXJRKEPJXRQU-UHFFFAOYSA-N
MW592.68 g/mol
LogP10.55
Rot. Bonds4

About 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile

6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile (PubChem CID 145193461) has the molecular formula C41H25FN4 and a molecular weight of 592.68 g/mol. Its IUPAC name is 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile
PubChem CID145193461
Molecular FormulaC41H25FN4
Molecular Weight592.68 g/mol
Exact Mass592.21
IUPAC Name6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)c2[nH]c3c(-c4ccc5c(ccn5-c5ccccc5)c4)cc(F)cc3c2c1
InChIInChI=1S/C41H25FN4/c42-31-23-35(28-12-14-39-30(22-28)16-18-46(39)33-9-5-2-6-10-33)41-37(24-31)36-20-26(25-43)19-34(40(36)44-41)27-11-13-38-29(21-27)15-17-45(38)32-7-3-1-4-8-32/h1-24,44H
InChIKeyWAOXJRKEPJXRQU-UHFFFAOYSA-N
XLogP10.55
TPSA49.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.68
LogP ≤ 510.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-(4-fluorobenzyl)pyrrolidin-3-yl)-1H-indole
CID 44230874
3-{4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 10134144
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CID 11279810
5-(1H-Indol-5-ylmethyl)-1H-indole
CID 389556
1,1,1-Tris(3-indolyl)methane
CID 254323
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile
CID 9845202
3-{4-[4-(4-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 9929930
5-[(1R,2R)-2-(pyrrolidin-1-ylmethyl)cyclopentyl]-1H-indole-3-carbonitrile
CID 9994556
3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1-propyl-1H-indole-5-carbonitrile
CID 10183387
3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1-isopropyl-1H-indole-5-carbonitrile
CID 10226822
1-Ethyl-3-{(1,4-cis)-4-[4-(1H-indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1H-indole-5-carbonitrile
CID 10275767
3-(3-(pyrrolidin-1-yl)cyclopentyl)-1H-indole-5-carbonitrile
CID 10333844

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile?
The IUPAC name of 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile (CID 145193461) is 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile.
What is the SMILES notation for 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile?
The canonical SMILES for 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile is N#Cc1cc(-c2ccc3c(ccn3-c3ccccc3)c2)c2[nH]c3c(-c4ccc5c(ccn5-c5ccccc5)c4)cc(F)cc3c2c1.
What is the InChIKey of 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile?
The InChIKey is WAOXJRKEPJXRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25FN4/c42-31-23-35(28-12-14-39-30(22-28)16-18-46(39)33-9-5-2-6-10-33)41-37(24-31)36-20-26(25-43)19-34(40(36)44-41)27-11-13-38-29(21-27)15-17-45(38)32-7-3-1-4-8-32/h1-24,44H.
What are the key properties of 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile?
6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile has a molecular weight of 592.68 g/mol, XLogP of 10.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,8-bis(1-phenylindol-5-yl)-9H-carbazole-3-carbonitrile is sourced from PubChem (CID 145193461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).