11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine

C65H46N2 — CID 118145832

IUPAC11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C65H46N2/c1-6-18-47(19-7-1)49-30-36-57(37-31-49)67(58-38-32-50(33-39-58)48-20-8-2-9-21-48)60-42-43-63-62(46-60)61-44-51-22-16-17-23-52(51)45-64(61)65(63,53-24-10-3-11-25-53)54-34-40-59(41-35-54)66(55-26-12-4-13-27-55)56-28-14-5-15-29-56/h1-46H
InChIKeyJCASQBRLKHZWPM-UHFFFAOYSA-N
MW855.10 g/mol
LogP17.48
Rot. Bonds10

About 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine

11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine (PubChem CID 118145832) has the molecular formula C65H46N2 and a molecular weight of 855.10 g/mol. Its IUPAC name is 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound Name11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
PubChem CID118145832
Molecular FormulaC65H46N2
Molecular Weight855.10 g/mol
Exact Mass854.37
IUPAC Name11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C65H46N2/c1-6-18-47(19-7-1)49-30-36-57(37-31-49)67(58-38-32-50(33-39-58)48-20-8-2-9-21-48)60-42-43-63-62(46-60)61-44-51-22-16-17-23-52(51)45-64(61)65(63,53-24-10-3-11-25-53)54-34-40-59(41-35-54)66(55-26-12-4-13-27-55)56-28-14-5-15-29-56/h1-46H
InChIKeyJCASQBRLKHZWPM-UHFFFAOYSA-N
XLogP17.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.10
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080169
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
3-[3-(3-methyl-11-phenylbenzo[b]fluoren-11-yl)phenyl]-N,N-diphenylaniline
CID 170297648
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine
CID 170652844

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine?
The IUPAC name of 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine (CID 118145832) is 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine.
What is the SMILES notation for 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine?
The canonical SMILES for 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine?
The InChIKey is JCASQBRLKHZWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2/c1-6-18-47(19-7-1)49-30-36-57(37-31-49)67(58-38-32-50(33-39-58)48-20-8-2-9-21-48)60-42-43-63-62(46-60)61-44-51-22-16-17-23-52(51)45-64(61)65(63,53-24-10-3-11-25-53)54-34-40-59(41-35-54)66(55-26-12-4-13-27-55)56-28-14-5-15-29-56/h1-46H.
What are the key properties of 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine?
11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine has a molecular weight of 855.10 g/mol, XLogP of 17.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-11-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 118145832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).