N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine

C62H41N — CID 59308401

IUPACN-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6c5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C62H41N/c1-5-18-43(19-6-1)56-41-57(44-20-7-2-8-21-44)61-54-30-16-15-29-53(54)58-40-49(35-37-55(58)62(61)60(56)45-23-9-3-10-24-45)46-32-33-48-39-51(36-34-47(48)38-46)63(50-26-11-4-12-27-50)59-31-17-25-42-22-13-14-28-52(42)59/h1-41H
InChIKeyBMVVRLSNPRGNRI-UHFFFAOYSA-N
MW800.02 g/mol
LogP17.59
Rot. Bonds7

About N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine

N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine (PubChem CID 59308401) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
PubChem CID59308401
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC NameN-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6c5)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C62H41N/c1-5-18-43(19-6-1)56-41-57(44-20-7-2-8-21-44)61-54-30-16-15-29-53(54)58-40-49(35-37-55(58)62(61)60(56)45-23-9-3-10-24-45)46-32-33-48-39-51(36-34-47(48)38-46)63(50-26-11-4-12-27-50)59-31-17-25-42-22-13-14-28-52(42)59/h1-41H
InChIKeyBMVVRLSNPRGNRI-UHFFFAOYSA-N
XLogP17.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-[4-(3,4,7-triphenyltriphenylen-1-yl)phenyl]naphthalen-1-amine
CID 59307890
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-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
4-(7-naphthalen-1-yl-3,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline;4-(10-naphthalen-2-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 161212019
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,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
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
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-[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
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine (CID 59308401) is N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine is c1ccc(-c2cc(-c3ccccc3)c3c4ccccc4c4cc(-c5ccc6cc(N(c7ccccc7)c7cccc8ccccc78)ccc6c5)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine?
The InChIKey is BMVVRLSNPRGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-5-18-43(19-6-1)56-41-57(44-20-7-2-8-21-44)61-54-30-16-15-29-53(54)58-40-49(35-37-55(58)62(61)60(56)45-23-9-3-10-24-45)46-32-33-48-39-51(36-34-47(48)38-46)63(50-26-11-4-12-27-50)59-31-17-25-42-22-13-14-28-52(42)59/h1-41H.
What are the key properties of N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine?
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine has a molecular weight of 800.02 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine is sourced from PubChem (CID 59308401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).