5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine

C61H52N2 — CID 144613129

IUPAC5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine
SMILESCCCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5ccccc54)c4ccccc4c2-3)c2cccc(-c3ccccc3C)c2C)cc1-c1ccccc1C
InChIInChI=1S/C61H52N2/c1-7-19-42-32-33-43(36-53(42)46-23-11-9-21-40(46)3)62(56-31-18-28-47(41(56)4)45-22-10-8-20-39(45)2)44-34-35-52-54(37-44)61(5,6)55-38-59(50-26-12-13-27-51(50)60(52)55)63-57-29-16-14-24-48(57)49-25-15-17-30-58(49)63/h8-18,20-38H,7,19H2,1-6H3
InChIKeyQTOBOMROFJCXCT-UHFFFAOYSA-N
MW813.10 g/mol
LogP16.92
Rot. Bonds8

About 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine

5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine (PubChem CID 144613129) has the molecular formula C61H52N2 and a molecular weight of 813.10 g/mol. Its IUPAC name is 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine.

Molecular Properties

Compound Name5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine
PubChem CID144613129
Molecular FormulaC61H52N2
Molecular Weight813.10 g/mol
Exact Mass812.41
IUPAC Name5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine
SMILESCCCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5ccccc54)c4ccccc4c2-3)c2cccc(-c3ccccc3C)c2C)cc1-c1ccccc1C
InChIInChI=1S/C61H52N2/c1-7-19-42-32-33-43(36-53(42)46-23-11-9-21-40(46)3)62(56-31-18-28-47(41(56)4)45-22-10-8-20-39(45)2)44-34-35-52-54(37-44)61(5,6)55-38-59(50-26-12-13-27-51(50)60(52)55)63-57-29-16-14-24-48(57)49-25-15-17-30-58(49)63/h8-18,20-38H,7,19H2,1-6H3
InChIKeyQTOBOMROFJCXCT-UHFFFAOYSA-N
XLogP16.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.10
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139567856
N-[4-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568306
9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 144613209
N-[2-(4-carbazol-9-yl-9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 176956346
5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 126498123
N-[3-(4-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568301
9,9-dimethyl-7-[3-methyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-N-[4-methyl-3-(2-propylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145354424
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
CID 90277902
N-[2-methyl-3-(2-methylphenyl)phenyl]-N-phenylspiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine
CID 145138048
N-[7,7-dimethyl-9-(2,4,6-trimethylphenyl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90129053
9,9-dimethyl-N-[2-methyl-3-(2-methylphenyl)-5-(9-phenylcarbazol-3-yl)phenyl]-N-phenylfluoren-2-amine
CID 145060209
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;methane
CID 158670022

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine?
The IUPAC name of 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine (CID 144613129) is 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine.
What is the SMILES notation for 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine?
The canonical SMILES for 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine is CCCc1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(-n4c5ccccc5c5ccccc54)c4ccccc4c2-3)c2cccc(-c3ccccc3C)c2C)cc1-c1ccccc1C.
What is the InChIKey of 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine?
The InChIKey is QTOBOMROFJCXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N2/c1-7-19-42-32-33-43(36-53(42)46-23-11-9-21-40(46)3)62(56-31-18-28-47(41(56)4)45-22-10-8-20-39(45)2)44-34-35-52-54(37-44)61(5,6)55-38-59(50-26-12-13-27-51(50)60(52)55)63-57-29-16-14-24-48(57)49-25-15-17-30-58(49)63/h8-18,20-38H,7,19H2,1-6H3.
What are the key properties of 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine?
5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine has a molecular weight of 813.10 g/mol, XLogP of 16.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine is sourced from PubChem (CID 144613129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).