6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole

C40H23N3O — CID 140963548

IUPAC6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole
SMILES[C-]#[N+]c1ccc2c3cc(-c4ccc(-c5oc6ccccc6c6nc7ccccc7c5-6)cc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C40H23N3O/c1-41-28-20-21-30-33-23-27(19-22-35(33)43(36(30)24-28)29-9-3-2-4-10-29)25-15-17-26(18-16-25)40-38-31-11-5-7-13-34(31)42-39(38)32-12-6-8-14-37(32)44-40/h2-24H
InChIKeyGAFPAFVFNCVIFN-UHFFFAOYSA-N
MW561.64 g/mol
LogP11.07
Rot. Bonds3

About 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole

6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole (PubChem CID 140963548) has the molecular formula C40H23N3O and a molecular weight of 561.64 g/mol. Its IUPAC name is 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole.

Molecular Properties

Compound Name6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole
PubChem CID140963548
Molecular FormulaC40H23N3O
Molecular Weight561.64 g/mol
Exact Mass561.18
IUPAC Name6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole
SMILES[C-]#[N+]c1ccc2c3cc(-c4ccc(-c5oc6ccccc6c6nc7ccccc7c5-6)cc4)ccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C40H23N3O/c1-41-28-20-21-30-33-23-27(19-22-35(33)43(36(30)24-28)29-9-3-2-4-10-29)25-15-17-26(18-16-25)40-38-31-11-5-7-13-34(31)42-39(38)32-12-6-8-14-37(32)44-40/h2-24H
InChIKeyGAFPAFVFNCVIFN-UHFFFAOYSA-N
XLogP11.07
TPSA35.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852
6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile
CID 122547854
9-[10-(7-isocyano-9-phenylcarbazol-3-yl)anthracen-9-yl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 140782491
2-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123269326
7-[4-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzo[c]acridine
CID 155601796
3-[9-[4-[4-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 123503758
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[9-(3-carbazol-9-yl-5-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole
CID 123239087
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
CID 121337166
3-[9-[4-(8-isocyanodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 123595842
3-[9-(4-isocyanophenyl)carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 140708240
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole?
The IUPAC name of 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole (CID 140963548) is 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole.
What is the SMILES notation for 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole?
The canonical SMILES for 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole is [C-]#[N+]c1ccc2c3cc(-c4ccc(-c5oc6ccccc6c6nc7ccccc7c5-6)cc4)ccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole?
The InChIKey is GAFPAFVFNCVIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O/c1-41-28-20-21-30-33-23-27(19-22-35(33)43(36(30)24-28)29-9-3-2-4-10-29)25-15-17-26(18-16-25)40-38-31-11-5-7-13-34(31)42-39(38)32-12-6-8-14-37(32)44-40/h2-24H.
What are the key properties of 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole?
6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole has a molecular weight of 561.64 g/mol, XLogP of 11.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole is sourced from PubChem (CID 140963548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).