N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine

C52H35N — CID 169063313

IUPACN-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C52H35N/c1-3-18-38(19-4-1)51-48-29-12-11-28-46(48)47-33-32-42(35-49(47)52(51)39-20-5-2-6-21-39)53(50-31-15-23-37-17-8-10-27-45(37)50)41-25-13-24-40(34-41)44-30-14-22-36-16-7-9-26-43(36)44/h1-35H
InChIKeyOLZNCYDFXAQYQX-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine

N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169063313) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169063313
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5ccccc45)ccc3c3ccccc23)cc1
InChIInChI=1S/C52H35N/c1-3-18-38(19-4-1)51-48-29-12-11-28-46(48)47-33-32-42(35-49(47)52(51)39-20-5-2-6-21-39)53(50-31-15-23-37-17-8-10-27-45(37)50)41-25-13-24-40(34-41)44-30-14-22-36-16-7-9-26-43(36)44/h1-35H
InChIKeyOLZNCYDFXAQYQX-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
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-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420
N-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 169061749
3-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 169062986
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
CID 169063321
2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetraphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 159869915
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063182
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,10-diphenylphenanthren-2-yl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 169062575
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 169064937
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 169064782
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
CID 169065529

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169063313) is N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4cccc(-c5cccc6ccccc56)c4)c4cccc5ccccc45)ccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is OLZNCYDFXAQYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-3-18-38(19-4-1)51-48-29-12-11-28-46(48)47-33-32-42(35-49(47)52(51)39-20-5-2-6-21-39)53(50-31-15-23-37-17-8-10-27-45(37)50)41-25-13-24-40(34-41)44-30-14-22-36-16-7-9-26-43(36)44/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine?
N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169063313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).