N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline

C59H41N — CID 118532996

IUPACN-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc6cccc-5c46)cc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C59H41N/c1-5-17-42(18-6-1)46-23-13-29-52(39-46)60(53-30-14-24-47(40-53)43-19-7-2-8-20-43)51-36-33-44(34-37-51)48-35-38-54-55-31-15-21-45-22-16-32-56(58(45)55)59(57(54)41-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-41H
InChIKeyXDZSDTDJTPQTHC-UHFFFAOYSA-N
MW763.98 g/mol
LogP15.67
Rot. Bonds8

About N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline

N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline (PubChem CID 118532996) has the molecular formula C59H41N and a molecular weight of 763.98 g/mol. Its IUPAC name is N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
PubChem CID118532996
Molecular FormulaC59H41N
Molecular Weight763.98 g/mol
Exact Mass763.32
IUPAC NameN-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc6cccc-5c46)cc3)c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C59H41N/c1-5-17-42(18-6-1)46-23-13-29-52(39-46)60(53-30-14-24-47(40-53)43-19-7-2-8-20-43)51-36-33-44(34-37-51)48-35-38-54-55-31-15-21-45-22-16-32-56(58(45)55)59(57(54)41-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-41H
InChIKeyXDZSDTDJTPQTHC-UHFFFAOYSA-N
XLogP15.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.98
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812075
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
3-methyl-N-phenyl-N-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-ylphenyl)aniline
CID 134352391
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725

Frequently Asked Questions

What is the IUPAC name of N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline?
The IUPAC name of N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline (CID 118532996) is N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline?
The canonical SMILES for N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cccc6cccc-5c46)cc3)c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline?
The InChIKey is XDZSDTDJTPQTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N/c1-5-17-42(18-6-1)46-23-13-29-52(39-46)60(53-30-14-24-47(40-53)43-19-7-2-8-20-43)51-36-33-44(34-37-51)48-35-38-54-55-31-15-21-45-22-16-32-56(58(45)55)59(57(54)41-48,49-25-9-3-10-26-49)50-27-11-4-12-28-50/h1-41H.
What are the key properties of N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline?
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline has a molecular weight of 763.98 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 118532996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).