4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline

C47H33N — CID 170412944

IUPAC4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C47H33N/c1-5-18-36(19-6-1)47(37-20-7-2-8-21-37)44-28-16-15-27-42(44)45-43(33-35-17-13-14-26-41(35)46(45)47)34-29-31-40(32-30-34)48(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-33H
InChIKeyUQMSRIUYCRWJMG-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.34
Rot. Bonds6

About 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline

4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline (PubChem CID 170412944) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
PubChem CID170412944
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC Name4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C47H33N/c1-5-18-36(19-6-1)47(37-20-7-2-8-21-37)44-28-16-15-27-42(44)45-43(33-35-17-13-14-26-41(35)46(45)47)34-29-31-40(32-30-34)48(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-33H
InChIKeyUQMSRIUYCRWJMG-UHFFFAOYSA-N
XLogP12.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 142614600
4-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-2,6-diphenylpyrimidine
CID 165152038
6-(7-naphthalen-2-ylpyren-2-yl)-11,11-diphenylbenzo[a]fluorene
CID 158356048
N-[4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164929419
N-(9,9-dimethylfluoren-2-yl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-2-amine
CID 169280540
N-(4-dibenzofuran-4-ylphenyl)-6,11,11-triphenyl-N-(4-phenylphenyl)benzo[a]fluoren-8-amine
CID 170373323
N-(3-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 142614746
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,9,9-triphenyl-N-[4-(8-phenylphenanthren-9-yl)phenyl]fluoren-2-amine
CID 146631646
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
4-[3-[4-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 165151992
2-[3-(11,11-diphenylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165152200

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline (CID 170412944) is 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4ccccc4c4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline?
The InChIKey is UQMSRIUYCRWJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-5-18-36(19-6-1)47(37-20-7-2-8-21-37)44-28-16-15-27-42(44)45-43(33-35-17-13-14-26-41(35)46(45)47)34-29-31-40(32-30-34)48(38-22-9-3-10-23-38)39-24-11-4-12-25-39/h1-33H.
What are the key properties of 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline?
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline has a molecular weight of 611.79 g/mol, XLogP of 12.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-diphenylbenzo[a]fluoren-6-yl)-N,N-diphenylaniline is sourced from PubChem (CID 170412944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).