9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole

C47H37N3 — CID 138654926

IUPAC9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole
SMILESC1=CCC(c2cc(C3C=CC=CC3)nc(-n3c4ccccc4c4c(-c5cccc6c5N(c5ccccc5)C5C=CC=CC65)cccc43)c2)C=C1
InChIInChI=1S/C47H37N3/c1-4-16-32(17-5-1)34-30-41(33-18-6-2-7-19-33)48-45(31-34)50-43-28-13-11-23-40(43)46-37(24-15-29-44(46)50)39-26-14-25-38-36-22-10-12-27-42(36)49(47(38)39)35-20-8-3-9-21-35/h1-16,18,20-33,36,42H,17,19H2
InChIKeyCDQBJSOLMFFPAG-UHFFFAOYSA-N
MW643.83 g/mol
LogP11.77
Rot. Bonds5

About 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole

9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole (PubChem CID 138654926) has the molecular formula C47H37N3 and a molecular weight of 643.83 g/mol. Its IUPAC name is 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole
PubChem CID138654926
Molecular FormulaC47H37N3
Molecular Weight643.83 g/mol
Exact Mass643.30
IUPAC Name9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole
SMILESC1=CCC(c2cc(C3C=CC=CC3)nc(-n3c4ccccc4c4c(-c5cccc6c5N(c5ccccc5)C5C=CC=CC65)cccc43)c2)C=C1
InChIInChI=1S/C47H37N3/c1-4-16-32(17-5-1)34-30-41(33-18-6-2-7-19-33)48-45(31-34)50-43-28-13-11-23-40(43)46-37(24-15-29-44(46)50)39-26-14-25-38-36-22-10-12-27-42(36)49(47(38)39)35-20-8-3-9-21-35/h1-16,18,20-33,36,42H,17,19H2
InChIKeyCDQBJSOLMFFPAG-UHFFFAOYSA-N
XLogP11.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.83
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole 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

5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
CID 122626270
3-cyclohexa-2,4-dien-1-yl-9-phenylcarbazole
CID 129238287
8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 170153049
9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 159103905
5-[5-(4-cyclohexa-2,4-dien-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)-2-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 145190215
9-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)dibenzothiophen-4-yl]-4-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 139556076
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276
5-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163810856
9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
CID 175616668
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
6,8-bis(4-carbazol-9-ylphenyl)-9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-cyclohexa-2,4-dien-1-yl-4a,9a-dihydrocarbazole
CID 88855242

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole?
The IUPAC name of 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole (CID 138654926) is 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole.
What is the SMILES notation for 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole?
The canonical SMILES for 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole is C1=CCC(c2cc(C3C=CC=CC3)nc(-n3c4ccccc4c4c(-c5cccc6c5N(c5ccccc5)C5C=CC=CC65)cccc43)c2)C=C1.
What is the InChIKey of 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole?
The InChIKey is CDQBJSOLMFFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N3/c1-4-16-32(17-5-1)34-30-41(33-18-6-2-7-19-33)48-45(31-34)50-43-28-13-11-23-40(43)46-37(24-15-29-44(46)50)39-26-14-25-38-36-22-10-12-27-42(36)49(47(38)39)35-20-8-3-9-21-35/h1-16,18,20-33,36,42H,17,19H2.
What are the key properties of 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole?
9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole has a molecular weight of 643.83 g/mol, XLogP of 11.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-di(cyclohexa-2,4-dien-1-yl)-2-pyridinyl]-4-(9-phenyl-4b,8a-dihydrocarbazol-1-yl)carbazole is sourced from PubChem (CID 138654926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).