N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C50H35N — CID 172502818

IUPACN-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C50H35N/c1-3-19-36(20-4-1)39-24-9-10-27-42(39)44-29-11-12-30-45(44)46-31-16-18-34-49(46)51(48-33-17-15-26-41(48)37-21-5-2-6-22-37)50-35-38-23-7-8-25-40(38)43-28-13-14-32-47(43)50/h1-35H
InChIKeyIFBBIRLXEGNQAR-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 172502818) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID172502818
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C50H35N/c1-3-19-36(20-4-1)39-24-9-10-27-42(39)44-29-11-12-30-45(44)46-31-16-18-34-49(46)51(48-33-17-15-26-41(48)37-21-5-2-6-22-37)50-35-38-23-7-8-25-40(38)43-28-13-14-32-47(43)50/h1-35H
InChIKeyIFBBIRLXEGNQAR-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-[2-methyl-4-[3-methyl-4-(N-phenanthren-9-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)phenanthren-9-amine
CID 121322653
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172501021
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-ylphenanthren-9-amine
CID 169062597
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 168789566
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
2,3,5,6-tetradeuterio-4-phenanthren-9-yl-N-(2-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)aniline
CID 162481154
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459
N-phenanthren-9-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168789511
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-naphthalen-2-yl-N-(2-phenylphenyl)chrysen-6-amine
CID 170135515

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 172502818) is N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is IFBBIRLXEGNQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-3-19-36(20-4-1)39-24-9-10-27-42(39)44-29-11-12-30-45(44)46-31-16-18-34-49(46)51(48-33-17-15-26-41(48)37-21-5-2-6-22-37)50-35-38-23-7-8-25-40(38)43-28-13-14-32-47(43)50/h1-35H.
What are the key properties of N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-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 N-(2-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 172502818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).