N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine

C50H33N — CID 171054315

IUPACN-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C50H33N/c1-2-13-34(14-3-1)44-20-10-11-24-49(44)51(41-29-30-43-38(32-41)27-25-35-15-4-6-19-42(35)43)40-18-12-17-37(31-40)48-33-39-28-26-36-16-5-7-21-45(36)50(39)47-23-9-8-22-46(47)48/h1-33H
InChIKeyLUNHSDRNOQKGFI-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine

N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine (PubChem CID 171054315) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
PubChem CID171054315
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c2)c2ccc3c(ccc4ccccc43)c2)cc1
InChIInChI=1S/C50H33N/c1-2-13-34(14-3-1)44-20-10-11-24-49(44)51(41-29-30-43-38(32-41)27-25-35-15-4-6-19-42(35)43)40-18-12-17-37(31-40)48-33-39-28-26-36-16-5-7-21-45(36)50(39)47-23-9-8-22-46(47)48/h1-33H
InChIKeyLUNHSDRNOQKGFI-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
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-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-2-amine
CID 170136192
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167182064
N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167266019
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167183896
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
N-[4-(3-chrysen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170142122
2-phenanthren-3-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614538
N-(4-benzo[c]phenanthren-1-yl-2-phenylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 167183489
N-phenyl-N-(2-phenylphenyl)perylen-2-amine
CID 22013256

Frequently Asked Questions

What is the IUPAC name of N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine (CID 171054315) is N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cc4ccc5ccccc5c4c4ccccc34)c2)c2ccc3c(ccc4ccccc43)c2)cc1.
What is the InChIKey of N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
The InChIKey is LUNHSDRNOQKGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-2-13-34(14-3-1)44-20-10-11-24-49(44)51(41-29-30-43-38(32-41)27-25-35-15-4-6-19-42(35)43)40-18-12-17-37(31-40)48-33-39-28-26-36-16-5-7-21-45(36)50(39)47-23-9-8-22-46(47)48/h1-33H.
What are the key properties of N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine?
N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 171054315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).