9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine

C50H35N — CID 169063139

IUPAC9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H35N/c1-5-17-36(18-6-1)38-31-33-42(34-32-38)51(43-26-15-25-41(35-43)37-19-7-2-8-20-37)47-30-16-29-46-49(40-23-11-4-12-24-40)48(39-21-9-3-10-22-39)44-27-13-14-28-45(44)50(46)47/h1-35H
InChIKeyHUSZSIRRIPNFLW-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine

9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine (PubChem CID 169063139) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine.

Molecular Properties

Compound Name9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
PubChem CID169063139
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H35N/c1-5-17-36(18-6-1)38-31-33-42(34-32-38)51(43-26-15-25-41(35-43)37-19-7-2-8-20-37)47-30-16-29-46-49(40-23-11-4-12-24-40)48(39-21-9-3-10-22-39)44-27-13-14-28-45(44)50(46)47/h1-35H
InChIKeyHUSZSIRRIPNFLW-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine
CID 169064773
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)triphenylen-1-amine
CID 167265700
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488
N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine
CID 169062280
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
4-N-[9,10-bis(3-phenylphenyl)anthracen-1-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 58184725
N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 158699050
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
CID 169064330

Frequently Asked Questions

What is the IUPAC name of 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine?
The IUPAC name of 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine (CID 169063139) is 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine.
What is the SMILES notation for 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine?
The canonical SMILES for 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)cc2)cc1.
What is the InChIKey of 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine?
The InChIKey is HUSZSIRRIPNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-5-17-36(18-6-1)38-31-33-42(34-32-38)51(43-26-15-25-41(35-43)37-19-7-2-8-20-37)47-30-16-29-46-49(40-23-11-4-12-24-40)48(39-21-9-3-10-22-39)44-27-13-14-28-45(44)50(46)47/h1-35H.
What are the key properties of 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine?
9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine is sourced from PubChem (CID 169063139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).