6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile

C40H23N3O — CID 122547852

IUPAC6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3cccc(-c4oc5ccccc5c5nc6ccccc6c4-5)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C40H23N3O/c41-24-25-17-19-35-32(21-25)33-23-27(18-20-36(33)43(35)29-11-2-1-3-12-29)26-9-8-10-28(22-26)40-38-30-13-4-6-15-34(30)42-39(38)31-14-5-7-16-37(31)44-40/h1-23H
InChIKeyNNCNRSYEQVQHGT-UHFFFAOYSA-N
MW561.64 g/mol
LogP10.39
Rot. Bonds3

About 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile

6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile (PubChem CID 122547852) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
PubChem CID122547852
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3cccc(-c4oc5ccccc5c5nc6ccccc6c4-5)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C40H23N3O/c41-24-25-17-19-35-32(21-25)33-23-27(18-20-36(33)43(35)29-11-2-1-3-12-29)26-9-8-10-28(22-26)40-38-30-13-4-6-15-34(30)42-39(38)31-14-5-7-16-37(31)44-40/h1-23H
InChIKeyNNCNRSYEQVQHGT-UHFFFAOYSA-N
XLogP10.39
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile
CID 122547854
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole
CID 140963548
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246805
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
6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 118944275
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole
CID 122547797
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758

Frequently Asked Questions

What is the IUPAC name of 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile (CID 122547852) is 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3cccc(-c4oc5ccccc5c5nc6ccccc6c4-5)c3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile?
The InChIKey is NNCNRSYEQVQHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c41-24-25-17-19-35-32(21-25)33-23-27(18-20-36(33)43(35)29-11-2-1-3-12-29)26-9-8-10-28(22-26)40-38-30-13-4-6-15-34(30)42-39(38)31-14-5-7-16-37(31)44-40/h1-23H.
What are the key properties of 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile?
6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile has a molecular weight of 561.64 g/mol, XLogP of 10.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 122547852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).