7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole

C64H55N — CID 144556739

IUPAC7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
SMILESCc1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)C4=C6C=CCC4)c3C)c2C)cc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C64H55N/c1-38-28-29-42(33-51(38)52-35-53-49-20-12-14-26-57(49)63(5,6)59(53)32-39(52)2)45-22-16-24-47(40(45)3)48-25-17-23-46(41(48)4)43-30-31-61-55(34-43)56-36-54-50-21-13-15-27-58(50)64(7,8)60(54)37-62(56)65(61)44-18-10-9-11-19-44/h9-14,16-26,28-37H,15,27H2,1-8H3
InChIKeyYTIKYLFZBQMCQX-UHFFFAOYSA-N
MW838.15 g/mol
LogP17.39
Rot. Bonds5

About 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole

7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole (PubChem CID 144556739) has the molecular formula C64H55N and a molecular weight of 838.15 g/mol. Its IUPAC name is 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
PubChem CID144556739
Molecular FormulaC64H55N
Molecular Weight838.15 g/mol
Exact Mass837.43
IUPAC Name7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
SMILESCc1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)C4=C6C=CCC4)c3C)c2C)cc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C64H55N/c1-38-28-29-42(33-51(38)52-35-53-49-20-12-14-26-57(49)63(5,6)59(53)32-39(52)2)45-22-16-24-47(40(45)3)48-25-17-23-46(41(48)4)43-30-31-61-55(34-43)56-36-54-50-21-13-15-27-58(50)64(7,8)60(54)37-62(56)65(61)44-18-10-9-11-19-44/h9-14,16-26,28-37H,15,27H2,1-8H3
InChIKeyYTIKYLFZBQMCQX-UHFFFAOYSA-N
XLogP17.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.15
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole with MolForge

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Related Compounds

7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
CID 139418350
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
10-(5-dibenzofuran-2-yl-2-methylphenyl)-7,7,9-trimethyl-5-phenylindeno[2,1-b]carbazole
CID 145018196
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
CID 122491504
7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(2,4,6-trimethylphenyl)indeno[2,1-b]carbazole
CID 118013987
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole (CID 144556739) is 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole is Cc1ccc(-c2cccc(-c3cccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)C(C)(C)C4=C6C=CCC4)c3C)c2C)cc1-c1cc2c(cc1C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
The InChIKey is YTIKYLFZBQMCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N/c1-38-28-29-42(33-51(38)52-35-53-49-20-12-14-26-57(49)63(5,6)59(53)32-39(52)2)45-22-16-24-47(40(45)3)48-25-17-23-46(41(48)4)43-30-31-61-55(34-43)56-36-54-50-21-13-15-27-58(50)64(7,8)60(54)37-62(56)65(61)44-18-10-9-11-19-44/h9-14,16-26,28-37H,15,27H2,1-8H3.
What are the key properties of 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole?
7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole has a molecular weight of 838.15 g/mol, XLogP of 17.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 144556739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).