N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine

C56H41N — CID 164929479

IUPACN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3ccccc3c21
InChIInChI=1S/C56H41N/c1-55(2)49-28-16-15-27-48(49)53-52(36-40-20-12-13-25-45(40)54(53)55)57(43-32-30-39(31-33-43)38-18-6-3-7-19-38)44-34-35-47-46-26-14-17-29-50(46)56(51(47)37-44,41-21-8-4-9-22-41)42-23-10-5-11-24-42/h3-37H,1-2H3
InChIKeyOGPAPJLXXZRMAU-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.65
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine (PubChem CID 164929479) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
PubChem CID164929479
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3ccccc3c21
InChIInChI=1S/C56H41N/c1-55(2)49-28-16-15-27-48(49)53-52(36-40-20-12-13-25-45(40)54(53)55)57(43-32-30-39(31-33-43)38-18-6-3-7-19-38)44-34-35-47-46-26-14-17-29-50(46)56(51(47)37-44,41-21-8-4-9-22-41)42-23-10-5-11-24-42/h3-37H,1-2H3
InChIKeyOGPAPJLXXZRMAU-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929573
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 164929469
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775197
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-naphthalen-2-ylphenyl)benzo[a]fluoren-6-amine
CID 164929570
N-(3,5-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929438
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170373487

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine (CID 164929479) is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
The InChIKey is OGPAPJLXXZRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)49-28-16-15-27-48(49)53-52(36-40-20-12-13-25-45(40)54(53)55)57(43-32-30-39(31-33-43)38-18-6-3-7-19-38)44-34-35-47-46-26-14-17-29-50(46)56(51(47)37-44,41-21-8-4-9-22-41)42-23-10-5-11-24-42/h3-37H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine?
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine has a molecular weight of 727.95 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).