N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine

C70H47N — CID 169062758

IUPACN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1
InChIInChI=1S/C70H47N/c1-4-16-48(17-5-1)56-34-35-59-46-62(42-38-58(59)45-56)71(61-40-36-51(37-41-61)50-28-30-52(31-29-50)57-33-32-49-18-10-11-23-55(49)44-57)68-27-15-14-24-63(68)60-39-43-65-64-25-12-13-26-66(64)69(53-19-6-2-7-20-53)70(67(65)47-60)54-21-8-3-9-22-54/h1-47H
InChIKeyHGZFSCKHLMBSBX-UHFFFAOYSA-N
MW902.15 g/mol
LogP19.77
Rot. Bonds9

About N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine

N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine (PubChem CID 169062758) has the molecular formula C70H47N and a molecular weight of 902.15 g/mol. Its IUPAC name is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
PubChem CID169062758
Molecular FormulaC70H47N
Molecular Weight902.15 g/mol
Exact Mass901.37
IUPAC NameN-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1
InChIInChI=1S/C70H47N/c1-4-16-48(17-5-1)56-34-35-59-46-62(42-38-58(59)45-56)71(61-40-36-51(37-41-61)50-28-30-52(31-29-50)57-33-32-49-18-10-11-23-55(49)44-57)68-27-15-14-24-63(68)60-39-43-65-64-25-12-13-26-66(64)69(53-19-6-2-7-20-53)70(67(65)47-60)54-21-8-3-9-22-54/h1-47H
InChIKeyHGZFSCKHLMBSBX-UHFFFAOYSA-N
XLogP19.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.15
LogP ≤ 519.77
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-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenyl-N-(6-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 169064136
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 169063864
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]phenanthren-9-amine
CID 169062894
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-6-phenylnaphthalen-2-amine
CID 169065413
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169063444
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 169064515
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-6-phenylnaphthalen-2-amine
CID 169062517
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 169063529
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-2-amine
CID 169064424
N-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]triphenylen-2-amine
CID 166845854

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine?
The IUPAC name of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine (CID 169062758) is N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine?
The canonical SMILES for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c4ccccc4-c4ccc5c(c4)c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)ccc3c2)cc1.
What is the InChIKey of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine?
The InChIKey is HGZFSCKHLMBSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N/c1-4-16-48(17-5-1)56-34-35-59-46-62(42-38-58(59)45-56)71(61-40-36-51(37-41-61)50-28-30-52(31-29-50)57-33-32-49-18-10-11-23-55(49)44-57)68-27-15-14-24-63(68)60-39-43-65-64-25-12-13-26-66(64)69(53-19-6-2-7-20-53)70(67(65)47-60)54-21-8-3-9-22-54/h1-47H.
What are the key properties of N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine?
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine has a molecular weight of 902.15 g/mol, XLogP of 19.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine is sourced from PubChem (CID 169062758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).