6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole

C51H39N — CID 145340628

IUPAC6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C4CC=CC=C4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc21
InChIInChI=1S/C51H39N/c1-51(2)47-22-11-9-20-43(47)44-26-24-39(33-48(44)51)37-19-13-18-36(28-37)38-25-27-50-46(32-38)45-21-10-12-23-49(45)52(50)42-30-40(34-14-5-3-6-15-34)29-41(31-42)35-16-7-4-8-17-35/h3-20,22-33,45H,21H2,1-2H3
InChIKeyUKUVONSBYBXZPQ-UHFFFAOYSA-N
MW665.88 g/mol
LogP13.74
Rot. Bonds5

About 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole

6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole (PubChem CID 145340628) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
PubChem CID145340628
Molecular FormulaC51H39N
Molecular Weight665.88 g/mol
Exact Mass665.31
IUPAC Name6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C4CC=CC=C4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc21
InChIInChI=1S/C51H39N/c1-51(2)47-22-11-9-20-43(47)44-26-24-39(33-48(44)51)37-19-13-18-36(28-37)38-25-27-50-46(32-38)45-21-10-12-23-49(45)52(50)42-30-40(34-14-5-3-6-15-34)29-41(31-42)35-16-7-4-8-17-35/h3-20,22-33,45H,21H2,1-2H3
InChIKeyUKUVONSBYBXZPQ-UHFFFAOYSA-N
XLogP13.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
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
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
[(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
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
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
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
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole?
The IUPAC name of 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole (CID 145340628) is 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole.
What is the SMILES notation for 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole?
The canonical SMILES for 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5c(c4)C4CC=CC=C4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)cc21.
What is the InChIKey of 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole?
The InChIKey is UKUVONSBYBXZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N/c1-51(2)47-22-11-9-20-43(47)44-26-24-39(33-48(44)51)37-19-13-18-36(28-37)38-25-27-50-46(32-38)45-21-10-12-23-49(45)52(50)42-30-40(34-14-5-3-6-15-34)29-41(31-42)35-16-7-4-8-17-35/h3-20,22-33,45H,21H2,1-2H3.
What are the key properties of 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole?
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole has a molecular weight of 665.88 g/mol, XLogP of 13.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole is sourced from PubChem (CID 145340628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).