7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine

C60H42N2 — CID 88884899

IUPAC7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-5-16-43(17-6-1)45-28-33-51(34-29-45)62(52-35-30-46(31-36-52)44-18-7-2-8-19-44)54-37-39-58-57-38-32-48(41-59(57)55-26-13-14-27-56(55)60(58)42-54)47-20-15-25-53(40-47)61(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-42H
InChIKeyGIPFYDSZRWJAES-UHFFFAOYSA-N
MW791.01 g/mol
LogP17.09
Rot. Bonds9

About 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine

7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine (PubChem CID 88884899) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound Name7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
PubChem CID88884899
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC Name7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C60H42N2/c1-5-16-43(17-6-1)45-28-33-51(34-29-45)62(52-35-30-46(31-36-52)44-18-7-2-8-19-44)54-37-39-58-57-38-32-48(41-59(57)55-26-13-14-27-56(55)60(58)42-54)47-20-15-25-53(40-47)61(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-42H
InChIKeyGIPFYDSZRWJAES-UHFFFAOYSA-N
XLogP17.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
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
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596
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
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
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-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296561
N-[4-[4-[3-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296581

Frequently Asked Questions

What is the IUPAC name of 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine (CID 88884899) is 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5ccc(-c6cccc(N(c7ccccc7)c7ccccc7)c6)cc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine?
The InChIKey is GIPFYDSZRWJAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-16-43(17-6-1)45-28-33-51(34-29-45)62(52-35-30-46(31-36-52)44-18-7-2-8-19-44)54-37-39-58-57-38-32-48(41-59(57)55-26-13-14-27-56(55)60(58)42-54)47-20-15-25-53(40-47)61(49-21-9-3-10-22-49)50-23-11-4-12-24-50/h1-42H.
What are the key properties of 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine?
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine has a molecular weight of 791.01 g/mol, XLogP of 17.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 88884899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).