N-phenyl-N-(2-phenylphenyl)perylen-2-amine

C38H25N — CID 22013256

IUPACN-phenyl-N-(2-phenylphenyl)perylen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)cc1
InChIInChI=1S/C38H25N/c1-3-12-26(13-4-1)31-19-7-8-23-36(31)39(29-17-5-2-6-18-29)30-24-28-16-11-21-33-32-20-9-14-27-15-10-22-34(37(27)32)35(25-30)38(28)33/h1-25H
InChIKeyKSLNUBILVRTJNN-UHFFFAOYSA-N
MW495.63 g/mol
LogP10.87
Rot. Bonds4

About N-phenyl-N-(2-phenylphenyl)perylen-2-amine

N-phenyl-N-(2-phenylphenyl)perylen-2-amine (PubChem CID 22013256) has the molecular formula C38H25N and a molecular weight of 495.63 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)perylen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)perylen-2-amine
PubChem CID22013256
Molecular FormulaC38H25N
Molecular Weight495.63 g/mol
Exact Mass495.20
IUPAC NameN-phenyl-N-(2-phenylphenyl)perylen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)cc1
InChIInChI=1S/C38H25N/c1-3-12-26(13-4-1)31-19-7-8-23-36(31)39(29-17-5-2-6-18-29)30-24-28-16-11-21-33-32-20-9-14-27-15-10-22-34(37(27)32)35(25-30)38(28)33/h1-25H
InChIKeyKSLNUBILVRTJNN-UHFFFAOYSA-N
XLogP10.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412210
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411998
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167411449
N-(3-benzo[c]phenanthren-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-2-amine
CID 171054315
N-(2-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167413071
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167182064
N-[3-(3-benzo[g]phenanthren-3-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
CID 167183896
N-(3-benzo[c]phenanthren-5-ylphenyl)-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167183480

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)perylen-2-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)perylen-2-amine (CID 22013256) is N-phenyl-N-(2-phenylphenyl)perylen-2-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)perylen-2-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)perylen-2-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)perylen-2-amine?
The InChIKey is KSLNUBILVRTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N/c1-3-12-26(13-4-1)31-19-7-8-23-36(31)39(29-17-5-2-6-18-29)30-24-28-16-11-21-33-32-20-9-14-27-15-10-22-34(37(27)32)35(25-30)38(28)33/h1-25H.
What are the key properties of N-phenyl-N-(2-phenylphenyl)perylen-2-amine?
N-phenyl-N-(2-phenylphenyl)perylen-2-amine has a molecular weight of 495.63 g/mol, XLogP of 10.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)perylen-2-amine is sourced from PubChem (CID 22013256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).