N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine

C116H76N2 — CID 163910164

IUPACN-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C58H37N.C58H39N/c1-2-16-38(17-3-1)57-53-28-14-11-24-48(53)49-25-12-15-29-54(49)58(57)39-30-32-41(33-31-39)59(56-36-40-18-4-5-19-43(40)44-20-10-13-27-52(44)56)42-34-35-51-47-23-7-6-21-45(47)46-22-8-9-26-50(46)55(51)37-42;1-3-17-40(18-4-1)47-22-9-10-23-48(47)41-31-35-45(36-32-41)59(56-39-44-21-7-8-24-49(44)50-25-11-14-28-53(50)56)46-37-33-43(34-38-46)58-55-30-16-13-27-52(55)51-26-12-15-29-54(51)57(58)42-19-5-2-6-20-42/h1-37H;1-39H
InChIKeyQRIYSWGXMRRZMO-UHFFFAOYSA-N
MW1497.90 g/mol
LogP33.00
Rot. Bonds12

About N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine

N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (PubChem CID 163910164) has the molecular formula C116H76N2 and a molecular weight of 1497.90 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
PubChem CID163910164
Molecular FormulaC116H76N2
Molecular Weight1497.90 g/mol
Exact Mass1496.60
IUPAC NameN-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C58H37N.C58H39N/c1-2-16-38(17-3-1)57-53-28-14-11-24-48(53)49-25-12-15-29-54(49)58(57)39-30-32-41(33-31-39)59(56-36-40-18-4-5-19-43(40)44-20-10-13-27-52(44)56)42-34-35-51-47-23-7-6-21-45(47)46-22-8-9-26-50(46)55(51)37-42;1-3-17-40(18-4-1)47-22-9-10-23-48(47)41-31-35-45(36-32-41)59(56-39-44-21-7-8-24-49(44)50-25-11-14-28-53(50)56)46-37-33-43(34-38-46)58-55-30-16-13-27-52(55)51-26-12-15-29-54(51)57(58)42-19-5-2-6-20-42/h1-37H;1-39H
InChIKeyQRIYSWGXMRRZMO-UHFFFAOYSA-N
XLogP33.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001497.90
LogP ≤ 533.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine with MolForge

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-phenanthren-9-yl-9,10-diphenyl-N-(4-phenylnaphthalen-1-yl)phenanthren-2-amine
CID 169065327
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)phenanthren-9-amine
CID 169064579
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-(4-naphthalen-1-ylphenyl)-3-(8-phenylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine;3-(8-phenylnaphthalen-1-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-3-(10-phenylphenanthren-9-yl)aniline
CID 161303851
4-[phenanthren-9-yl-(5,6,8-triphenyltriphenylen-2-yl)amino]benzenethiol
CID 89072735
6-(4-naphthalen-1-ylphenyl)-N,N-di(phenanthren-9-yl)-5,8-diphenyltriphenylen-2-amine;6-(4-naphthalen-1-ylphenyl)-5,8-diphenyl-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 159775531
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-(4-phenylphenyl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 121477390
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-phenanthren-9-yldibenzothiophen-2-amine
CID 169062364
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-(2-phenylphenyl)-4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-amine;N-phenyl-N-[4-(5,6,7,8-tetraphenylnaphthalen-2-yl)naphthalen-1-yl]phenanthren-9-amine
CID 157359441

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The IUPAC name of N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine (CID 163910164) is N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is c1ccc(-c2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5ccccc5c5ccccc45)cc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccccc5)c5ccccc5c5ccccc45)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
The InChIKey is QRIYSWGXMRRZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N.C58H39N/c1-2-16-38(17-3-1)57-53-28-14-11-24-48(53)49-25-12-15-29-54(49)58(57)39-30-32-41(33-31-39)59(56-36-40-18-4-5-19-43(40)44-20-10-13-27-52(44)56)42-34-35-51-47-23-7-6-21-45(47)46-22-8-9-26-50(46)55(51)37-42;1-3-17-40(18-4-1)47-22-9-10-23-48(47)41-31-35-45(36-32-41)59(56-39-44-21-7-8-24-49(44)50-25-11-14-28-53(50)56)46-37-33-43(34-38-46)58-55-30-16-13-27-52(55)51-26-12-15-29-54(51)57(58)42-19-5-2-6-20-42/h1-37H;1-39H.
What are the key properties of N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine?
N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine has a molecular weight of 1497.90 g/mol, XLogP of 33.00, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-9-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]triphenylen-2-amine;N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 163910164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).