N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine

C56H37N — CID 169065529

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc6ccccc6c5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C56H37N/c1-3-17-40(18-4-1)55-52-26-12-11-25-49(52)50-33-31-44(37-53(50)56(55)41-19-5-2-6-20-41)43-22-13-23-45(36-43)57(46-32-29-38-15-7-8-21-42(38)35-46)54-28-14-27-48-47-24-10-9-16-39(47)30-34-51(48)54/h1-37H
InChIKeyAMEJMIYVMFREDS-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine (PubChem CID 169065529) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
PubChem CID169065529
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc6ccccc6c5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C56H37N/c1-3-17-40(18-4-1)55-52-26-12-11-25-49(52)50-33-31-44(37-53(50)56(55)41-19-5-2-6-20-41)43-22-13-23-45(36-43)57(46-32-29-38-15-7-8-21-42(38)35-46)54-28-14-27-48-47-24-10-9-16-39(47)30-34-51(48)54/h1-37H
InChIKeyAMEJMIYVMFREDS-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 515.92
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-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-1-amine
CID 169064330
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 169064123
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylphenanthren-2-amine
CID 169064424
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-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
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]-6-phenylnaphthalen-2-amine
CID 169062758
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine
CID 169062386

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine (CID 169065529) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc6ccccc6c5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine?
The InChIKey is AMEJMIYVMFREDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-17-40(18-4-1)55-52-26-12-11-25-49(52)50-33-31-44(37-53(50)56(55)41-19-5-2-6-20-41)43-22-13-23-45(36-43)57(46-32-29-38-15-7-8-21-42(38)35-46)54-28-14-27-48-47-24-10-9-16-39(47)30-34-51(48)54/h1-37H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine has a molecular weight of 723.92 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-2-ylphenanthren-1-amine is sourced from PubChem (CID 169065529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).