9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C58H44N2 — CID 134395156

IUPAC9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3ccc21
InChIInChI=1S/C58H44N2/c1-58(2)52-22-14-13-21-50(52)51-35-33-48(38-53(51)58)60(46-29-23-40(24-30-46)39-15-7-4-8-16-39)47-31-25-41(26-32-47)44-27-34-49-45(37-44)28-36-54-56(49)55(42-17-9-5-10-18-42)57(59(54)3)43-19-11-6-12-20-43/h4-38H,1-3H3
InChIKeyPABFTBDOSGHVIJ-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.78
Rot. Bonds7

About 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 134395156) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID134395156
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3ccc21
InChIInChI=1S/C58H44N2/c1-58(2)52-22-14-13-21-50(52)51-35-33-48(38-53(51)58)60(46-29-23-40(24-30-46)39-15-7-4-8-16-39)47-31-25-41(26-32-47)44-27-34-49-45(37-44)28-36-54-56(49)55(42-17-9-5-10-18-42)57(59(54)3)43-19-11-6-12-20-43/h4-38H,1-3H3
InChIKeyPABFTBDOSGHVIJ-UHFFFAOYSA-N
XLogP15.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(1,2,3-triphenylbenzo[e]indol-7-yl)phenyl]fluoren-2-amine
CID 134395151
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121450570
N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine
CID 134396601
N-[4-(1,3-dimethyl-2-phenylindol-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134507468
N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121447558
9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121447557
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
N-(4-chrysen-5-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140151
N-(9,9-dimethylfluoren-2-yl)-6-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)-9-methylcarbazol-3-yl]-9-methyl-N-phenylcarbazol-2-amine
CID 147401277
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 134395156) is 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is Cn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3ccc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PABFTBDOSGHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-58(2)52-22-14-13-21-50(52)51-35-33-48(38-53(51)58)60(46-29-23-40(24-30-46)39-15-7-4-8-16-39)47-31-25-41(26-32-47)44-27-34-49-45(37-44)28-36-54-56(49)55(42-17-9-5-10-18-42)57(59(54)3)43-19-11-6-12-20-43/h4-38H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 769.00 g/mol, XLogP of 15.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 134395156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).