benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine

C58H42N2 — CID 158578514

IUPACbenzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
SMILESc1ccc(Nc2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccccc1
InChIInChI=1S/C52H36N2.C6H6/c1-4-18-42(19-5-1)53-43-28-30-47-49(34-43)51(40-26-24-36-14-10-12-16-38(36)32-40)48-31-29-46(54(44-20-6-2-7-21-44)45-22-8-3-9-23-45)35-50(48)52(47)41-27-25-37-15-11-13-17-39(37)33-41;1-2-4-6-5-3-1/h1-35,53H;1-6H
InChIKeyHSYPOOQRJMTEQV-UHFFFAOYSA-N
MW766.99 g/mol
LogP16.53
Rot. Bonds7

About benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine

benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine (PubChem CID 158578514) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine.

Molecular Properties

Compound Namebenzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
PubChem CID158578514
Molecular FormulaC58H42N2
Molecular Weight766.99 g/mol
Exact Mass766.33
IUPAC Namebenzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
SMILESc1ccc(Nc2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccccc1
InChIInChI=1S/C52H36N2.C6H6/c1-4-18-42(19-5-1)53-43-28-30-47-49(34-43)51(40-26-24-36-14-10-12-16-38(36)32-40)48-31-29-46(54(44-20-6-2-7-21-44)45-22-8-3-9-23-45)35-50(48)52(47)41-27-25-37-15-11-13-17-39(37)33-41;1-2-4-6-5-3-1/h1-35,53H;1-6H
InChIKeyHSYPOOQRJMTEQV-UHFFFAOYSA-N
XLogP16.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.99
LogP ≤ 516.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-6-[10-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-amine
CID 143540583
[(1Z)-buta-1,3-dienyl]benzene;2-N,9,10-trinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 159203789
2-N-naphthalen-1-yl-10-naphthalen-2-yl-2-N,6-N,9-N,9-N-tetraphenylanthracene-2,6,9-triamine
CID 59766176
2-N,6-N,9-trinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766461
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 90194196
9-naphthalen-2-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194162
naphthalene;2-N-naphthalen-1-yl-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 160961200
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712
2-N,2-N,6-N,6-N,9,10-hexanaphthalen-2-ylanthracene-2,6-diamine
CID 58927073

Frequently Asked Questions

What is the IUPAC name of benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine?
The IUPAC name of benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine (CID 158578514) is benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine.
What is the SMILES notation for benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine?
The canonical SMILES for benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine is c1ccc(Nc2ccc3c(-c4ccc5ccccc5c4)c4cc(N(c5ccccc5)c5ccccc5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccccc1.
What is the InChIKey of benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine?
The InChIKey is HSYPOOQRJMTEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2.C6H6/c1-4-18-42(19-5-1)53-43-28-30-47-49(34-43)51(40-26-24-36-14-10-12-16-38(36)32-40)48-31-29-46(54(44-20-6-2-7-21-44)45-22-8-3-9-23-45)35-50(48)52(47)41-27-25-37-15-11-13-17-39(37)33-41;1-2-4-6-5-3-1/h1-35,53H;1-6H.
What are the key properties of benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine?
benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine has a molecular weight of 766.99 g/mol, XLogP of 16.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9,10-dinaphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine is sourced from PubChem (CID 158578514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).