4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine

C62H41N — CID 167182110

IUPAC4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cc7ccccc7c7c6ccc6ccccc67)c6ccccc56)cc4)c3)c3ccccc23)cc1
InChIInChI=1S/C62H41N/c1-3-16-43(17-4-1)50-36-37-51(55-27-12-11-26-54(50)55)46-21-15-20-45(40-46)42-30-33-49(34-31-42)63(48-22-5-2-6-23-48)61-39-38-57(56-28-13-14-29-58(56)61)60-41-47-19-8-10-25-53(47)62-52-24-9-7-18-44(52)32-35-59(60)62/h1-41H
InChIKeyILBDNSAKUKNYPG-UHFFFAOYSA-N
MW800.02 g/mol
LogP17.59
Rot. Bonds7

About 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine

4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 167182110) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine
PubChem CID167182110
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC Name4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cc7ccccc7c7c6ccc6ccccc67)c6ccccc56)cc4)c3)c3ccccc23)cc1
InChIInChI=1S/C62H41N/c1-3-16-43(17-4-1)50-36-37-51(55-27-12-11-26-54(50)55)46-21-15-20-45(40-46)42-30-33-49(34-31-42)63(48-22-5-2-6-23-48)61-39-38-57(56-28-13-14-29-58(56)61)60-41-47-19-8-10-25-53(47)62-52-24-9-7-18-44(52)32-35-59(60)62/h1-41H
InChIKeyILBDNSAKUKNYPG-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 517.59
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-[7-[3-(4-benzo[c]phenanthren-6-yl-N-(2,4-diphenylphenyl)anilino)phenyl]benzo[c]phenanthren-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167183724
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
4-chrysen-1-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170142135
4-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141665
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
5-phenanthren-1-yl-2-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236645
3-benzo[c]phenanthren-6-yl-N-(4-phenanthren-9-ylphenyl)-4-phenyl-N-(3-phenylphenyl)aniline
CID 167182365
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-[3-(3,5-diphenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166974675
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine (CID 167182110) is 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cc7ccccc7c7c6ccc6ccccc67)c6ccccc56)cc4)c3)c3ccccc23)cc1.
What is the InChIKey of 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is ILBDNSAKUKNYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-3-16-43(17-4-1)50-36-37-51(55-27-12-11-26-54(50)55)46-21-15-20-45(40-46)42-30-33-49(34-31-42)63(48-22-5-2-6-23-48)61-39-38-57(56-28-13-14-29-58(56)61)60-41-47-19-8-10-25-53(47)62-52-24-9-7-18-44(52)32-35-59(60)62/h1-41H.
What are the key properties of 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine?
4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 800.02 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c]phenanthren-6-yl-N-phenyl-N-[4-[3-(4-phenylnaphthalen-1-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 167182110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).