N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine

C43H33N — CID 59836976

IUPACN-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
SMILESCCCc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C43H33N/c1-2-7-30-12-24-38(25-13-30)44(41-29-23-37-19-18-35-10-6-11-36-22-28-40(41)43(37)42(35)36)39-26-20-34(21-27-39)33-16-14-32(15-17-33)31-8-4-3-5-9-31/h3-6,8-29H,2,7H2,1H3
InChIKeyVDHSEVLTMTXNCO-UHFFFAOYSA-N
MW563.74 g/mol
LogP12.34
Rot. Bonds7

About N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine

N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine (PubChem CID 59836976) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine.

Molecular Properties

Compound NameN-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
PubChem CID59836976
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC NameN-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
SMILESCCCc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C43H33N/c1-2-7-30-12-24-38(25-13-30)44(41-29-23-37-19-18-35-10-6-11-36-22-28-40(41)43(37)42(35)36)39-26-20-34(21-27-39)33-16-14-32(15-17-33)31-8-4-3-5-9-31/h3-6,8-29H,2,7H2,1H3
InChIKeyVDHSEVLTMTXNCO-UHFFFAOYSA-N
XLogP12.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 512.34
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,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
1-N,6-N-bis[3-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[4-(3-phenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[4-(3,5-diphenylphenyl)phenyl]-1-N,6-N-bis[3-(3-phenylphenyl)phenyl]pyrene-1,6-diamine;1-N,6-N-bis[3-(3-phenylphenyl)phenyl]-1-N,6-N-bis[4-(3-phenylphenyl)phenyl]pyrene-1,6-diamine
CID 163898864
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]pyren-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 58750828

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine?
The IUPAC name of N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine (CID 59836976) is N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine.
What is the SMILES notation for N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine?
The canonical SMILES for N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine is CCCc1ccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine?
The InChIKey is VDHSEVLTMTXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-2-7-30-12-24-38(25-13-30)44(41-29-23-37-19-18-35-10-6-11-36-22-28-40(41)43(37)42(35)36)39-26-20-34(21-27-39)33-16-14-32(15-17-33)31-8-4-3-5-9-31/h3-6,8-29H,2,7H2,1H3.
What are the key properties of N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine?
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine has a molecular weight of 563.74 g/mol, XLogP of 12.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine is sourced from PubChem (CID 59836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).