N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine

C64H42N2 — CID 146508836

IUPACN-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5ccc6c(-c7ccccc7)c7ccccc7n6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C64H42N2/c1-4-17-43(18-5-1)48-39-49(44-19-6-2-7-20-44)41-52(40-48)65(51-36-37-58-56-26-11-10-24-54(56)55-25-12-13-27-57(55)60(58)42-51)50-34-31-45(32-35-50)53-29-16-23-47-33-38-62-63(46-21-8-3-9-22-46)59-28-14-15-30-61(59)66(62)64(47)53/h1-42H
InChIKeyZIHZHPNELWNFMW-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.84
Rot. Bonds7

About N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine

N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine (PubChem CID 146508836) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
PubChem CID146508836
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5ccc6c(-c7ccccc7)c7ccccc7n6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C64H42N2/c1-4-17-43(18-5-1)48-39-49(44-19-6-2-7-20-44)41-52(40-48)65(51-36-37-58-56-26-11-10-24-54(56)55-25-12-13-27-57(55)60(58)42-51)50-34-31-45(32-35-50)53-29-16-23-47-33-38-62-63(46-21-8-3-9-22-46)59-28-14-15-30-61(59)66(62)64(47)53/h1-42H
InChIKeyZIHZHPNELWNFMW-UHFFFAOYSA-N
XLogP17.84
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.84
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

4-phenyl-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146508951
N-[4-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 146508772
N,6-diphenyl-N-[7-(7-phenylindolo[1,2-a]quinolin-1-yl)phenanthren-2-yl]dibenzofuran-4-amine
CID 146508773
N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
CID 169064228
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
N,N-diphenyl-4-[4-(7-phenylindolo[1,2-a]quinolin-3-yl)phenyl]aniline
CID 146508530
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
N-dibenzofuran-3-yl-N-[4-(7-phenylindolo[1,2-a]quinolin-6-yl)phenyl]dibenzofuran-3-amine
CID 146508978
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N,N-bis(4-naphthalen-1-ylphenyl)-12-phenylindolo[1,2-b]isoquinolin-3-amine
CID 146508526

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine (CID 146508836) is N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5ccc6c(-c7ccccc7)c7ccccc7n6c45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine?
The InChIKey is ZIHZHPNELWNFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-4-17-43(18-5-1)48-39-49(44-19-6-2-7-20-44)41-52(40-48)65(51-36-37-58-56-26-11-10-24-54(56)55-25-12-13-27-57(55)60(58)42-51)50-34-31-45(32-35-50)53-29-16-23-47-33-38-62-63(46-21-8-3-9-22-46)59-28-14-15-30-61(59)66(62)64(47)53/h1-42H.
What are the key properties of N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine?
N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine has a molecular weight of 839.05 g/mol, XLogP of 17.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-[4-(7-phenylindolo[1,2-a]quinolin-1-yl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 146508836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).