2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole

C49H32N2O — CID 170249532

IUPAC2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc2c(c#1)-c1c(cccc1-n1c3c(c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)ccc41)C=CCC3)OC2
InChIInChI=1S/C49H32N2O/c1-2-12-32(13-3-1)33-15-10-16-37(28-33)50-43-20-8-6-18-39(43)41-26-24-35(30-47(41)50)34-25-27-45-42(29-34)40-19-7-9-21-44(40)51(45)46-22-11-23-48-49(46)38-17-5-4-14-36(38)31-52-48/h1-4,6-8,10-16,18-20,22-30H,9,21,31H2
InChIKeyVIBKRUQXFNICBA-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.18
Rot. Bonds4

About 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole

2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 170249532) has the molecular formula C49H32N2O and a molecular weight of 664.81 g/mol. Its IUPAC name is 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID170249532
Molecular FormulaC49H32N2O
Molecular Weight664.81 g/mol
Exact Mass664.25
IUPAC Name2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc2c(c#1)-c1c(cccc1-n1c3c(c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)ccc41)C=CCC3)OC2
InChIInChI=1S/C49H32N2O/c1-2-12-32(13-3-1)33-15-10-16-37(28-33)50-43-20-8-6-18-39(43)41-26-24-35(30-47(41)50)34-25-27-45-42(29-34)40-19-7-9-21-44(40)51(45)46-22-11-23-48-49(46)38-17-5-4-14-36(38)31-52-48/h1-4,6-8,10-16,18-20,22-30H,9,21,31H2
InChIKeyVIBKRUQXFNICBA-UHFFFAOYSA-N
XLogP12.18
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 170245611
3-phenyl-9-[2-[2-(6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]cyclohexa-1,5-dien-3-yn-1-yl]carbazole
CID 170274572
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
9-phenyl-2-[9-(4-phenylquinazolin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 163569923
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
6-[9-[3-(2-phenylphenyl)phenyl]carbazol-3-yl]-20-oxa-2-azaheptacyclo[12.10.2.12,9.03,8.018,26.021,25.013,27]heptacosa-1(25),3(8),4,6,9(27),10,12,14,16,18(26),21,23-dodecaene
CID 170252814
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650

Frequently Asked Questions

What is the IUPAC name of 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 170249532) is 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole is c1ccc2c(c#1)-c1c(cccc1-n1c3c(c4cc(-c5ccc6c7ccccc7n(-c7cccc(-c8ccccc8)c7)c6c5)ccc41)C=CCC3)OC2.
What is the InChIKey of 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is VIBKRUQXFNICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O/c1-2-12-32(13-3-1)33-15-10-16-37(28-33)50-43-20-8-6-18-39(43)41-26-24-35(30-47(41)50)34-25-27-45-42(29-34)40-19-7-9-21-44(40)51(45)46-22-11-23-48-49(46)38-17-5-4-14-36(38)31-52-48/h1-4,6-8,10-16,18-20,22-30H,9,21,31H2.
What are the key properties of 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole?
2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 664.81 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(9,10-didehydro-6H-benzo[c]chromen-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 170249532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).