N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine

C56H37N — CID 171054294

IUPACN-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)ccc2N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C56H37N/c1-3-13-40(14-4-1)52-35-45(33-34-54(52)57(47-17-5-2-6-18-47)55-37-46-16-8-9-19-48(46)50-21-11-12-22-51(50)55)39-25-23-38(24-26-39)44-32-29-42-28-31-43-30-27-41-15-7-10-20-49(41)56(43)53(42)36-44/h1-37H
InChIKeyNEKZIRVOSGVUNG-UHFFFAOYSA-N
MW723.92 g/mol
LogP15.92
Rot. Bonds6

About N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine

N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine (PubChem CID 171054294) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
PubChem CID171054294
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)ccc2N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C56H37N/c1-3-13-40(14-4-1)52-35-45(33-34-54(52)57(47-17-5-2-6-18-47)55-37-46-16-8-9-19-48(46)50-21-11-12-22-51(50)55)39-25-23-38(24-26-39)44-32-29-42-28-31-43-30-27-41-15-7-10-20-49(41)56(43)53(42)36-44/h1-37H
InChIKeyNEKZIRVOSGVUNG-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-(2,4-diphenylphenyl)-N-phenylphenanthren-1-amine
CID 118369404
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
4-chrysen-3-yl-2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170140942
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
4-chrysen-3-yl-N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 170140977
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
4-phenanthren-2-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 170054686
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
N-(4-chrysen-6-ylphenyl)-2-naphthalen-1-yl-N,4-diphenylaniline
CID 170140885

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine?
The IUPAC name of N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine (CID 171054294) is N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)ccc2N(c2ccccc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine?
The InChIKey is NEKZIRVOSGVUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-3-13-40(14-4-1)52-35-45(33-34-54(52)57(47-17-5-2-6-18-47)55-37-46-16-8-9-19-48(46)50-21-11-12-22-51(50)55)39-25-23-38(24-26-39)44-32-29-42-28-31-43-30-27-41-15-7-10-20-49(41)56(43)53(42)36-44/h1-37H.
What are the key properties of N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine?
N-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-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-[4-(4-benzo[c]phenanthren-2-ylphenyl)-2-phenylphenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 171054294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).