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

C64H51N — CID 88941278

IUPAC7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
SMILESCc1c(-c2ccccc2)c(C)c(-c2cccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C4CC=CC=C4N6c4ccccc4)c4ccccc34)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C64H51N/c1-40-61(43-20-9-6-10-21-43)41(2)63(42(3)62(40)44-22-11-7-12-23-44)47-25-19-24-45(36-47)49-34-35-50(52-29-16-15-28-51(49)52)46-32-33-53-55-38-56-54-30-17-18-31-59(54)65(48-26-13-8-14-27-48)60(56)39-58(55)64(4,5)57(53)37-46/h6-29,31-39,54H,30H2,1-5H3
InChIKeyVRCJIISFKXZNBA-UHFFFAOYSA-N
MW834.12 g/mol
LogP17.49
Rot. Bonds6

About 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

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 (PubChem CID 88941278) has the molecular formula C64H51N and a molecular weight of 834.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
PubChem CID88941278
Molecular FormulaC64H51N
Molecular Weight834.12 g/mol
Exact Mass833.40
IUPAC Name7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
SMILESCc1c(-c2ccccc2)c(C)c(-c2cccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C4CC=CC=C4N6c4ccccc4)c4ccccc34)c2)c(C)c1-c1ccccc1
InChIInChI=1S/C64H51N/c1-40-61(43-20-9-6-10-21-43)41(2)63(42(3)62(40)44-22-11-7-12-23-44)47-25-19-24-45(36-47)49-34-35-50(52-29-16-15-28-51(49)52)46-32-33-53-55-38-56-54-30-17-18-31-59(54)65(48-26-13-8-14-27-48)60(56)39-58(55)64(4,5)57(53)37-46/h6-29,31-39,54H,30H2,1-5H3
InChIKeyVRCJIISFKXZNBA-UHFFFAOYSA-N
XLogP17.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.12
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
3-[9-(9,9-dimethylfluoren-3-yl)-4b,5-dihydrocarbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 167134855
11,11-dimethyl-2-(9-naphthalen-2-yl-4b,5-dihydrocarbazol-3-yl)-5-(3-phenylphenyl)indeno[1,2-b]carbazole
CID 145080000
[(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
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775
7-[2-(3-methylphenyl)phenyl]-9-naphthalen-2-yl-4,4a-dihydrocarbazole
CID 144907676
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
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
N-[7-[3-[3,5-bis(4-methylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-7,7-dimethyl-N,5-diphenylindeno[2,1-b]carbazol-9-amine;7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]indeno[2,1-b]carbazole
CID 159626174

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccccc2)c(C)c(-c2cccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C4CC=CC=C4N6c4ccccc4)c4ccccc34)c2)c(C)c1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is VRCJIISFKXZNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N/c1-40-61(43-20-9-6-10-21-43)41(2)63(42(3)62(40)44-22-11-7-12-23-44)47-25-19-24-45(36-47)49-34-35-50(52-29-16-15-28-51(49)52)46-32-33-53-55-38-56-54-30-17-18-31-59(54)65(48-26-13-8-14-27-48)60(56)39-58(55)64(4,5)57(53)37-46/h6-29,31-39,54H,30H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 834.12 g/mol, XLogP of 17.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88941278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).