6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole

C56H44N2 — CID 145340775

IUPAC6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C4CC=CC=C4N5c4ccc(C5=CC(c6ccccc6)NC(c6ccccc6)=C5)cc4)cc3)cc21
InChIInChI=1S/C56H44N2/c1-56(2)50-19-11-9-17-46(50)47-31-27-43(34-51(47)56)38-23-21-37(22-24-38)42-28-32-55-49(33-42)48-18-10-12-20-54(48)58(55)45-29-25-39(26-30-45)44-35-52(40-13-5-3-6-14-40)57-53(36-44)41-15-7-4-8-16-41/h3-17,19-36,48,52,57H,18H2,1-2H3
InChIKeyNBABOMWJKWMWMW-UHFFFAOYSA-N
MW744.98 g/mol
LogP14.18
Rot. Bonds6

About 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole

6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole (PubChem CID 145340775) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
PubChem CID145340775
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC Name6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C4CC=CC=C4N5c4ccc(C5=CC(c6ccccc6)NC(c6ccccc6)=C5)cc4)cc3)cc21
InChIInChI=1S/C56H44N2/c1-56(2)50-19-11-9-17-46(50)47-31-27-43(34-51(47)56)38-23-21-37(22-24-38)42-28-32-55-49(33-42)48-18-10-12-20-54(48)58(55)45-29-25-39(26-30-45)44-35-52(40-13-5-3-6-14-40)57-53(36-44)41-15-7-4-8-16-41/h3-17,19-36,48,52,57H,18H2,1-2H3
InChIKeyNBABOMWJKWMWMW-UHFFFAOYSA-N
XLogP14.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 514.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole 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-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167154560
[(Z)-[(Z)-3-[4-[7-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,4a-dihydrocarbazol-9-yl]phenyl]-3-phenylprop-2-enylidene]amino]methanamine
CID 145340721
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278
2-[9,9-dimethyl-7-[3-(2-phenylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-yl]-7-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene
CID 143207701
2,6-diphenyl-4-spiro[10H-anthracene-9,9'-fluorene]-2-yl-1,2-dihydropyridine;ethane
CID 145358316
10-(9,9-dimethylfluoren-2-yl)-9-methyl-2-(2-phenylphenyl)-7-(4-phenylphenyl)-9H-acridine
CID 155220844
7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
CID 70819605

Frequently Asked Questions

What is the IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole?
The IUPAC name of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole (CID 145340775) is 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole.
What is the SMILES notation for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole?
The canonical SMILES for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C4CC=CC=C4N5c4ccc(C5=CC(c6ccccc6)NC(c6ccccc6)=C5)cc4)cc3)cc21.
What is the InChIKey of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole?
The InChIKey is NBABOMWJKWMWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-56(2)50-19-11-9-17-46(50)47-31-27-43(34-51(47)56)38-23-21-37(22-24-38)42-28-32-55-49(33-42)48-18-10-12-20-54(48)58(55)45-29-25-39(26-30-45)44-35-52(40-13-5-3-6-14-40)57-53(36-44)41-15-7-4-8-16-41/h3-17,19-36,48,52,57H,18H2,1-2H3.
What are the key properties of 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole?
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole has a molecular weight of 744.98 g/mol, XLogP of 14.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole is sourced from PubChem (CID 145340775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).