N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine

C40H27N — CID 167183726

IUPACN-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H27N/c1-2-11-35(12-3-1)41(37-25-22-28-8-4-5-10-33(28)26-37)36-23-20-29(21-24-36)34-19-16-31-15-18-32-17-14-30-9-6-7-13-38(30)40(32)39(31)27-34/h1-27H
InChIKeyIEMWHGDIBXTFDP-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.44
Rot. Bonds4

About N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine (PubChem CID 167183726) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
PubChem CID167183726
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H27N/c1-2-11-35(12-3-1)41(37-25-22-28-8-4-5-10-33(28)26-37)36-23-20-29(21-24-36)34-19-16-31-15-18-32-17-14-30-9-6-7-13-38(30)40(32)39(31)27-34/h1-27H
InChIKeyIEMWHGDIBXTFDP-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.44
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-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167183091
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N,N-diphenyl-4-[20-[4-(N-phenylanilino)phenyl]-5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaenyl]aniline
CID 132542294
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-diphenyl-4-(6-picen-2-ylnaphthalen-2-yl)aniline
CID 58511216
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167184091

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine (CID 167183726) is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine?
The InChIKey is IEMWHGDIBXTFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-2-11-35(12-3-1)41(37-25-22-28-8-4-5-10-33(28)26-37)36-23-20-29(21-24-36)34-19-16-31-15-18-32-17-14-30-9-6-7-13-38(30)40(32)39(31)27-34/h1-27H.
What are the key properties of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine?
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine has a molecular weight of 521.66 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 167183726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).