N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine

C56H37N — CID 142614539

IUPACN,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc4-c4cc5ccccc5c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C56H37N/c1-2-16-38(17-3-1)39-30-31-41-35-44(33-32-40(41)34-39)57(55-28-14-12-26-51(55)53-36-42-18-4-6-20-45(42)47-22-8-10-24-49(47)53)56-29-15-13-27-52(56)54-37-43-19-5-7-21-46(43)48-23-9-11-25-50(48)54/h1-37H
InChIKeyVLGIGQZAIPUOOP-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine

N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine (PubChem CID 142614539) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
PubChem CID142614539
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc4-c4cc5ccccc5c5ccccc45)ccc3c2)cc1
InChIInChI=1S/C56H37N/c1-2-16-38(17-3-1)39-30-31-41-35-44(33-32-40(41)34-39)57(55-28-14-12-26-51(55)53-36-42-18-4-6-20-45(42)47-22-8-10-24-49(47)53)56-29-15-13-27-52(56)54-37-43-19-5-7-21-46(43)48-23-9-11-25-50(48)54/h1-37H
InChIKeyVLGIGQZAIPUOOP-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-(4-naphthalen-2-ylphenyl)-2-phenanthren-9-yl-N-(4-phenylphenyl)aniline
CID 166566606
N-(4-chrysen-2-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 170136262
N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163909892
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166742019
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-yl-N,2-bis(4-phenylphenyl)aniline
CID 177274546
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172501021
N-(4-naphthalen-2-ylnaphthalen-1-yl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170130600
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-(2-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)naphtho[3,2-b][1]benzothiol-8-amine
CID 169007544

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
The IUPAC name of N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine (CID 142614539) is N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine.
What is the SMILES notation for N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
The canonical SMILES for N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine is c1ccc(-c2ccc3cc(N(c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc4-c4cc5ccccc5c5ccccc45)ccc3c2)cc1.
What is the InChIKey of N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
The InChIKey is VLGIGQZAIPUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-16-38(17-3-1)39-30-31-41-35-44(33-32-40(41)34-39)57(55-28-14-12-26-51(55)53-36-42-18-4-6-20-45(42)47-22-8-10-24-49(47)53)56-29-15-13-27-52(56)54-37-43-19-5-7-21-46(43)48-23-9-11-25-50(48)54/h1-37H.
What are the key properties of N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine?
N,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-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,N-bis(2-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine is sourced from PubChem (CID 142614539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).