N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine

C56H41N — CID 89083683

IUPACN-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine
SMILESC1=CC2=C(CC1)C(N(c1ccc3c(c1)c1ccccc1c1c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c31)c1cccc3ccccc13)=CCC2
InChIInChI=1S/C56H41N/c1-4-18-40(19-5-1)49-37-50(41-20-6-2-7-21-41)55-47-31-15-14-30-46(47)51-36-43(34-35-48(51)56(55)54(49)42-24-8-3-9-25-42)57(52-32-16-26-38-22-10-12-28-44(38)52)53-33-17-27-39-23-11-13-29-45(39)53/h1-12,14-16,18-26,28,30-37H,13,17,27,29H2
InChIKeyVGVIBLRVSCAZLH-UHFFFAOYSA-N
MW727.95 g/mol
LogP15.76
Rot. Bonds6

About N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine

N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine (PubChem CID 89083683) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine
PubChem CID89083683
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine
SMILESC1=CC2=C(CC1)C(N(c1ccc3c(c1)c1ccccc1c1c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c31)c1cccc3ccccc13)=CCC2
InChIInChI=1S/C56H41N/c1-4-18-40(19-5-1)49-37-50(41-20-6-2-7-21-41)55-47-31-15-14-30-46(47)51-36-43(34-35-48(51)56(55)54(49)42-24-8-3-9-25-42)57(52-32-16-26-38-22-10-12-28-44(38)52)53-33-17-27-39-23-11-13-29-45(39)53/h1-12,14-16,18-26,28,30-37H,13,17,27,29H2
InChIKeyVGVIBLRVSCAZLH-UHFFFAOYSA-N
XLogP15.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 515.76
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-[4-(8-phenylbenzo[c]phenanthren-5-yl)phenyl]-N-(3,4,7,8-tetrahydronaphthalen-1-yl)naphthalen-2-amine
CID 89086103
N-naphthalen-1-yl-N-phenyl-6-(5,6,8-triphenyltriphenylen-2-yl)naphthalen-2-amine
CID 59308401
N-(4-tert-butylphenyl)-N-naphthalen-1-yl-5,7,8-triphenyltriphenylen-2-amine
CID 59308259
6-cyclohexa-1,5-dien-1-yl-N-(1,2-dihydroacenaphthylen-5-yl)-5,8-diphenyl-N-(4-phenylphenyl)triphenylen-2-amine
CID 89083812
4-(10-naphthalen-1-yl-2,4-diphenyltriphenylen-1-yl)-N,N-diphenylaniline
CID 59308329
N-(1,2-dihydroacenaphthylen-5-yl)-N-naphthalen-2-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59308019
N-naphthalen-2-yl-N,5,7,8-tetraphenyltriphenylen-2-amine
CID 59308327
N-(3-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-5,6,8-triphenyltriphenylen-2-amine
CID 59307858
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-naphthalen-2-yl-N-[4-(2,4,10-triphenyltriphenylen-1-yl)phenyl]naphthalen-2-amine
CID 59308126
N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 89083534

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine?
The IUPAC name of N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine (CID 89083683) is N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine is C1=CC2=C(CC1)C(N(c1ccc3c(c1)c1ccccc1c1c(-c4ccccc4)cc(-c4ccccc4)c(-c4ccccc4)c31)c1cccc3ccccc13)=CCC2.
What is the InChIKey of N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine?
The InChIKey is VGVIBLRVSCAZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-4-18-40(19-5-1)49-37-50(41-20-6-2-7-21-41)55-47-31-15-14-30-46(47)51-36-43(34-35-48(51)56(55)54(49)42-24-8-3-9-25-42)57(52-32-16-26-38-22-10-12-28-44(38)52)53-33-17-27-39-23-11-13-29-45(39)53/h1-12,14-16,18-26,28,30-37H,13,17,27,29H2.
What are the key properties of N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine?
N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine has a molecular weight of 727.95 g/mol, XLogP of 15.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-5,6,8-triphenyl-N-(3,4,7,8-tetrahydronaphthalen-1-yl)triphenylen-2-amine is sourced from PubChem (CID 89083683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).