6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile

C44H25N3O — CID 122547854

IUPAC6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4oc5ccccc5c5nc6ccccc6c4-5)cc3)ccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C44H25N3O/c45-26-27-13-21-39-36(23-27)37-25-32(19-22-40(37)47(39)33-20-18-28-7-1-2-8-31(28)24-33)29-14-16-30(17-15-29)44-42-34-9-3-5-11-38(34)46-43(42)35-10-4-6-12-41(35)48-44/h1-25H
InChIKeySTQPWUZICWCDMM-UHFFFAOYSA-N
MW611.70 g/mol
LogP11.54
Rot. Bonds3

About 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile

6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile (PubChem CID 122547854) has the molecular formula C44H25N3O and a molecular weight of 611.70 g/mol. Its IUPAC name is 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile
PubChem CID122547854
Molecular FormulaC44H25N3O
Molecular Weight611.70 g/mol
Exact Mass611.20
IUPAC Name6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4oc5ccccc5c5nc6ccccc6c4-5)cc3)ccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C44H25N3O/c45-26-27-13-21-39-36(23-27)37-25-32(19-22-40(37)47(39)33-20-18-28-7-1-2-8-31(28)24-33)29-14-16-30(17-15-29)44-42-34-9-3-5-11-38(34)46-43(42)35-10-4-6-12-41(35)48-44/h1-25H
InChIKeySTQPWUZICWCDMM-UHFFFAOYSA-N
XLogP11.54
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.70
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852
6-[4-(7-isocyano-9-phenylcarbazol-3-yl)phenyl]chromeno[4,3-b]indole
CID 140963548
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
6-(1,2-benzoxazol-5-yl)-9-dibenzofuran-2-ylcarbazole-3-carbonitrile
CID 134343725
6-[4-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 134389026
ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile
CID 143844229
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
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
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-[6,8-di(carbazol-9-yl)dibenzofuran-2-yl]-6-phenylcarbazole-3-carbonitrile
CID 134343534

Frequently Asked Questions

What is the IUPAC name of 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile?
The IUPAC name of 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile (CID 122547854) is 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile?
The canonical SMILES for 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4oc5ccccc5c5nc6ccccc6c4-5)cc3)ccc1n2-c1ccc2ccccc2c1.
What is the InChIKey of 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile?
The InChIKey is STQPWUZICWCDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O/c45-26-27-13-21-39-36(23-27)37-25-32(19-22-40(37)47(39)33-20-18-28-7-1-2-8-31(28)24-33)29-14-16-30(17-15-29)44-42-34-9-3-5-11-38(34)46-43(42)35-10-4-6-12-41(35)48-44/h1-25H.
What are the key properties of 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile?
6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile has a molecular weight of 611.70 g/mol, XLogP of 11.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chromeno[4,3-b]indol-6-ylphenyl)-9-naphthalen-2-ylcarbazole-3-carbonitrile is sourced from PubChem (CID 122547854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).