N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine

C58H39N — CID 169062685

IUPACN,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H39N/c1-3-15-44(16-4-1)57-55-22-12-11-21-53(55)54-36-35-52(39-56(54)58(57)45-17-5-2-6-18-45)59(50-31-27-42(28-32-50)48-25-23-40-13-7-9-19-46(40)37-48)51-33-29-43(30-34-51)49-26-24-41-14-8-10-20-47(41)38-49/h1-39H
InChIKeyQBEGUJIUBDCLAR-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.44
Rot. Bonds7

About N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine

N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine (PubChem CID 169062685) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
PubChem CID169062685
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)ccc3c3ccccc23)cc1
InChIInChI=1S/C58H39N/c1-3-15-44(16-4-1)57-55-22-12-11-21-53(55)54-36-35-52(39-56(54)58(57)45-17-5-2-6-18-45)59(50-31-27-42(28-32-50)48-25-23-40-13-7-9-19-46(40)37-48)51-33-29-43(30-34-51)49-26-24-41-14-8-10-20-47(41)38-49/h1-39H
InChIKeyQBEGUJIUBDCLAR-UHFFFAOYSA-N
XLogP16.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.44
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

9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
2-N,6-N-dinaphthalen-2-yl-2-N,6-N-diphenyl-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 58855163
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 169062474
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The IUPAC name of N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine (CID 169062685) is N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The canonical SMILES for N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)ccc3c3ccccc23)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
The InChIKey is QBEGUJIUBDCLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-15-44(16-4-1)57-55-22-12-11-21-53(55)54-36-35-52(39-56(54)58(57)45-17-5-2-6-18-45)59(50-31-27-42(28-32-50)48-25-23-40-13-7-9-19-46(40)37-48)51-33-29-43(30-34-51)49-26-24-41-14-8-10-20-47(41)38-49/h1-39H.
What are the key properties of N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine?
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine has a molecular weight of 749.96 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine is sourced from PubChem (CID 169062685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).