10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

C60H41N — CID 155305426

IUPAC10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5)c5c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc6c6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C60H41N/c1-3-16-42(17-4-1)47-20-13-21-48(40-47)45-34-32-43(33-35-45)44-36-38-52(39-37-44)61(51-24-5-2-6-25-51)60-58-30-12-10-28-56(58)55-27-9-11-29-57(55)59(60)50-23-14-22-49(41-50)54-31-15-19-46-18-7-8-26-53(46)54/h1-41H
InChIKeyXHMQUYMHKKTXBV-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine

10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (PubChem CID 155305426) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.

Molecular Properties

Compound Name10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
PubChem CID155305426
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC Name10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5)c5c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc6c6ccccc56)cc4)cc3)c2)cc1
InChIInChI=1S/C60H41N/c1-3-16-42(17-4-1)47-20-13-21-48(40-47)45-34-32-43(33-35-45)44-36-38-52(39-37-44)61(51-24-5-2-6-25-51)60-58-30-12-10-28-56(58)55-27-9-11-29-57(55)59(60)50-23-14-22-49(41-50)54-31-15-19-46-18-7-8-26-53(46)54/h1-41H
InChIKeyXHMQUYMHKKTXBV-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
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

10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813
N-[10-(4-naphthalen-1-ylphenyl)phenanthren-9-yl]-N-[4-[3-[3-[5-[3-[10-[4-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenanthren-9-yl]phenyl]naphthalen-1-yl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155305261
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155305498
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
10-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155304643
N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303334
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
CID 155305413
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461

Frequently Asked Questions

What is the IUPAC name of 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The IUPAC name of 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine (CID 155305426) is 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine.
What is the SMILES notation for 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The canonical SMILES for 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is c1ccc(-c2cccc(-c3ccc(-c4ccc(N(c5ccccc5)c5c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc6c6ccccc56)cc4)cc3)c2)cc1.
What is the InChIKey of 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
The InChIKey is XHMQUYMHKKTXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-3-16-42(17-4-1)47-20-13-21-48(40-47)45-34-32-43(33-35-45)44-36-38-52(39-37-44)61(51-24-5-2-6-25-51)60-58-30-12-10-28-56(58)55-27-9-11-29-57(55)59(60)50-23-14-22-49(41-50)54-31-15-19-46-18-7-8-26-53(46)54/h1-41H.
What are the key properties of 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine?
10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-naphthalen-1-ylphenyl)-N-phenyl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine is sourced from PubChem (CID 155305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).