1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole

C71H59N — CID 90249372

IUPAC1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1ccc(-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(c2)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4ccc(-c5ccccc5C)c(C)c4)c2n3C)cc1C
InChIInChI=1S/C71H59N/c1-42-18-10-12-20-52(42)54-30-26-46(34-44(54)3)50-36-61(49-29-33-59-57-23-15-17-25-65(57)71(7,8)67(59)41-49)69-62(38-50)63-39-51(47-27-32-58-56-22-14-16-24-64(56)70(5,6)66(58)40-47)37-60(68(63)72(69)9)48-28-31-55(45(4)35-48)53-21-13-11-19-43(53)2/h10-41H,1-9H3
InChIKeyCRVBXFHNPNEPCC-UHFFFAOYSA-N
MW926.26 g/mol
LogP19.18
Rot. Bonds6

About 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole

1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole (PubChem CID 90249372) has the molecular formula C71H59N and a molecular weight of 926.26 g/mol. Its IUPAC name is 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole
PubChem CID90249372
Molecular FormulaC71H59N
Molecular Weight926.26 g/mol
Exact Mass925.46
IUPAC Name1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole
SMILESCc1ccccc1-c1ccc(-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(c2)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4ccc(-c5ccccc5C)c(C)c4)c2n3C)cc1C
InChIInChI=1S/C71H59N/c1-42-18-10-12-20-52(42)54-30-26-46(34-44(54)3)50-36-61(49-29-33-59-57-23-15-17-25-65(57)71(7,8)67(59)41-49)69-62(38-50)63-39-51(47-27-32-58-56-22-14-16-24-64(56)70(5,6)66(58)40-47)37-60(68(63)72(69)9)48-28-31-55(45(4)35-48)53-21-13-11-19-43(53)2/h10-41H,1-9H3
InChIKeyCRVBXFHNPNEPCC-UHFFFAOYSA-N
XLogP19.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.26
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
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
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
ethane;2,5,7,7-tetramethyl-3-(2-methylphenyl)indeno[2,1-b]carbazole
CID 142380434
2-(4-iodo-3-methylphenyl)-9,9-dimethylfluorene
CID 70971884
3-[4-[7-[7-(4-fluoranthen-3-yl-3-methylphenyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2-methylphenyl]fluoranthene
CID 123260032
4-dibenzofuran-2-yl-N-[4-[3-(9,9-dimethylfluoren-2-yl)-5-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenylaniline
CID 118919480
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
6-(9,9-dimethylfluoren-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3-diphenylcarbazole
CID 118052543
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
The IUPAC name of 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole (CID 90249372) is 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole.
What is the SMILES notation for 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
The canonical SMILES for 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole is Cc1ccccc1-c1ccc(-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c(c2)c2cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(-c4ccc(-c5ccccc5C)c(C)c4)c2n3C)cc1C.
What is the InChIKey of 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
The InChIKey is CRVBXFHNPNEPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H59N/c1-42-18-10-12-20-52(42)54-30-26-46(34-44(54)3)50-36-61(49-29-33-59-57-23-15-17-25-65(57)71(7,8)67(59)41-49)69-62(38-50)63-39-51(47-27-32-58-56-22-14-16-24-64(56)70(5,6)66(58)40-47)37-60(68(63)72(69)9)48-28-31-55(45(4)35-48)53-21-13-11-19-43(53)2/h10-41H,1-9H3.
What are the key properties of 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole?
1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole has a molecular weight of 926.26 g/mol, XLogP of 19.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole is sourced from PubChem (CID 90249372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).