N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline

C54H38N2 — CID 58900733

IUPACN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc5cc6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc6cc5cc4c3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-13-49(14-6-1)55(50-15-7-2-8-16-50)53-29-25-39(26-30-53)41-21-23-43-35-48-38-46-34-42(22-24-44(46)36-47(48)37-45(43)33-41)40-27-31-54(32-28-40)56(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-38H
InChIKeyZLNPWVPGOBXCLF-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.42
Rot. Bonds8

About N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline

N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline (PubChem CID 58900733) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
PubChem CID58900733
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc5cc6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc6cc5cc4c3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-13-49(14-6-1)55(50-15-7-2-8-16-50)53-29-25-39(26-30-53)41-21-23-43-35-48-38-46-34-42(22-24-44(46)36-47(48)37-45(43)33-41)40-27-31-54(32-28-40)56(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-38H
InChIKeyZLNPWVPGOBXCLF-UHFFFAOYSA-N
XLogP15.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139352483
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
CID 145077482
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline (CID 58900733) is N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4cc5cc6cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc6cc5cc4c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline?
The InChIKey is ZLNPWVPGOBXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-13-49(14-6-1)55(50-15-7-2-8-16-50)53-29-25-39(26-30-53)41-21-23-43-35-48-38-46-34-42(22-24-44(46)36-47(48)37-45(43)33-41)40-27-31-54(32-28-40)56(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-38H.
What are the key properties of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline?
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline has a molecular weight of 714.91 g/mol, XLogP of 15.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]tetracen-2-yl]aniline is sourced from PubChem (CID 58900733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).