N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine

C128H84N2 — CID 159285564

IUPACN-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C70H45N.C58H39N/c1-4-20-47(21-5-1)63-45-64(48-22-6-2-7-23-48)69-61-35-19-16-32-58(61)65-42-50(38-41-62(65)70(69)68(63)49-24-8-3-9-25-49)46-36-39-53(40-37-46)71(66-43-51-26-10-12-28-54(51)56-30-14-17-33-59(56)66)67-44-52-27-11-13-29-55(52)57-31-15-18-34-60(57)67;1-5-18-42(19-6-1)53-39-54(43-20-7-2-8-21-43)57-51-28-16-15-27-50(51)55-38-46(32-36-52(55)58(57)56(53)44-22-9-3-10-23-44)41-29-33-48(34-30-41)59(47-25-11-4-12-26-47)49-35-31-40-17-13-14-24-45(40)37-49/h1-45H;1-39H
InChIKeyKZLUBXJGOYAKLN-UHFFFAOYSA-N
MW1650.09 g/mol
LogP36.33
Rot. Bonds14

About N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine

N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine (PubChem CID 159285564) has the molecular formula C128H84N2 and a molecular weight of 1650.09 g/mol. Its IUPAC name is N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
PubChem CID159285564
Molecular FormulaC128H84N2
Molecular Weight1650.09 g/mol
Exact Mass1648.66
IUPAC NameN-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C70H45N.C58H39N/c1-4-20-47(21-5-1)63-45-64(48-22-6-2-7-23-48)69-61-35-19-16-32-58(61)65-42-50(38-41-62(65)70(69)68(63)49-24-8-3-9-25-49)46-36-39-53(40-37-46)71(66-43-51-26-10-12-28-54(51)56-30-14-17-33-59(56)66)67-44-52-27-11-13-29-55(52)57-31-15-18-34-60(57)67;1-5-18-42(19-6-1)53-39-54(43-20-7-2-8-21-43)57-51-28-16-15-27-50(51)55-38-46(32-36-52(55)58(57)56(53)44-22-9-3-10-23-44)41-29-33-48(34-30-41)59(47-25-11-4-12-26-47)49-35-31-40-17-13-14-24-45(40)37-49/h1-45H;1-39H
InChIKeyKZLUBXJGOYAKLN-UHFFFAOYSA-N
XLogP36.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001650.09
LogP ≤ 536.33
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-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine with MolForge

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Related Compounds

N-phenanthren-9-yl-N-[6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 59308295
N-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-naphthalen-2-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308800
4-[7-naphthalen-2-yl-3-phenyl-4-[4-(N-phenylanilino)phenyl]triphenylen-1-yl]-N,N-diphenylaniline
CID 59307953
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3,10-diphenyl-7-(10-phenylanthracen-9-yl)triphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307671
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
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-(3,4-diphenyltriphenylen-1-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59308764
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]-3-phenyltriphenylen-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59307963
N,N-diphenyl-4-(3,4,7-triphenyltriphenylen-1-yl)aniline
CID 59308653
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
4-(7-phenanthren-9-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308354

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine (CID 159285564) is N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc(N(c6cc7ccccc7c7ccccc67)c6cc7ccccc7c7ccccc67)cc5)ccc4c3c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is KZLUBXJGOYAKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N.C58H39N/c1-4-20-47(21-5-1)63-45-64(48-22-6-2-7-23-48)69-61-35-19-16-32-58(61)65-42-50(38-41-62(65)70(69)68(63)49-24-8-3-9-25-49)46-36-39-53(40-37-46)71(66-43-51-26-10-12-28-54(51)56-30-14-17-33-59(56)66)67-44-52-27-11-13-29-55(52)57-31-15-18-34-60(57)67;1-5-18-42(19-6-1)53-39-54(43-20-7-2-8-21-43)57-51-28-16-15-27-50(51)55-38-46(32-36-52(55)58(57)56(53)44-22-9-3-10-23-44)41-29-33-48(34-30-41)59(47-25-11-4-12-26-47)49-35-31-40-17-13-14-24-45(40)37-49/h1-45H;1-39H.
What are the key properties of N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine?
N-phenanthren-9-yl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 1650.09 g/mol, XLogP of 36.33, 14 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-(5,6,8-triphenyltriphenylen-2-yl)phenyl]phenanthren-9-amine;N-phenyl-N-[4-(5,6,8-triphenyltriphenylen-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 159285564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).