N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline

C48H33N — CID 153357597

IUPACN-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)c3)cc2)cc1
InChIInChI=1S/C48H33N/c1-3-14-34(15-4-1)35-28-30-40(31-29-35)49(39-19-5-2-6-20-39)41-21-12-17-37(33-41)36-16-11-18-38(32-36)42-26-13-27-47-45-23-8-7-22-43(45)44-24-9-10-25-46(44)48(42)47/h1-33H
InChIKeyZHZWBRAPJXXGOQ-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

About N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline

N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline (PubChem CID 153357597) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
PubChem CID153357597
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)c3)cc2)cc1
InChIInChI=1S/C48H33N/c1-3-14-34(15-4-1)35-28-30-40(31-29-35)49(39-19-5-2-6-20-39)41-21-12-17-37(33-41)36-16-11-18-38(32-36)42-26-13-27-47-45-23-8-7-22-43(45)44-24-9-10-25-46(44)48(42)47/h1-33H
InChIKeyZHZWBRAPJXXGOQ-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
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

4-phenyl-N-(4-phenylphenyl)-N-[4-(3-triphenylen-1-ylphenyl)phenyl]aniline
CID 153357627
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
3-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;3-phenanthren-9-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159059412
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
5-N,18-N-diphenyl-5-N,18-N-bis[4-(3-phenylphenyl)phenyl]hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010766
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline (CID 153357597) is N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline?
The InChIKey is ZHZWBRAPJXXGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-3-14-34(15-4-1)35-28-30-40(31-29-35)49(39-19-5-2-6-20-39)41-21-12-17-37(33-41)36-16-11-18-38(32-36)42-26-13-27-47-45-23-8-7-22-43(45)44-24-9-10-25-46(44)48(42)47/h1-33H.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline?
N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline is sourced from PubChem (CID 153357597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).