N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

C56H37N — CID 167182328

IUPACN-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc(-c5cccc6ccc7ccc8ccccc8c7c56)cc4)c3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C56H37N/c1-2-11-38(12-3-1)45-16-8-18-48(35-45)57(50-33-34-52-47(37-50)32-28-40-13-4-6-20-51(40)52)49-19-9-17-46(36-49)39-23-25-42(26-24-39)54-22-10-15-43-30-31-44-29-27-41-14-5-7-21-53(41)56(44)55(43)54/h1-37H
InChIKeyPSVHOYXYWHKNCM-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 167182328) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
PubChem CID167182328
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc(-c5cccc6ccc7ccc8ccccc8c7c56)cc4)c3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C56H37N/c1-2-11-38(12-3-1)45-16-8-18-48(35-45)57(50-33-34-52-47(37-50)32-28-40-13-4-6-20-51(40)52)49-19-9-17-46(36-49)39-23-25-42(26-24-39)54-22-10-15-43-30-31-44-29-27-41-14-5-7-21-53(41)56(44)55(43)54/h1-37H
InChIKeyPSVHOYXYWHKNCM-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-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
4-(3-benzo[c]phenanthren-1-ylphenyl)-N,3-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167183655
N,N-bis(3-phenanthren-2-ylphenyl)-3-phenylaniline
CID 135299449
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-2-amine
CID 170136248
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (CID 167182328) is N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc(-c5cccc6ccc7ccc8ccccc8c7c56)cc4)c3)c3ccc4c(ccc5ccccc54)c3)c2)cc1.
What is the InChIKey of N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is PSVHOYXYWHKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-2-11-38(12-3-1)45-16-8-18-48(35-45)57(50-33-34-52-47(37-50)32-28-40-13-4-6-20-51(40)52)49-19-9-17-46(36-49)39-23-25-42(26-24-39)54-22-10-15-43-30-31-44-29-27-41-14-5-7-21-53(41)56(44)55(43)54/h1-37H.
What are the key properties of N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-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-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167182328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).