2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine

C72H54N2 — CID 89062291

IUPAC2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESCC1=CC=C(c2ccc(N(c3ccccc3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccccc6)c6ccc(-c7ccc(C)cc7)cc6)ccc5c(-c5cccc6ccccc56)c4c3)cc2)CC1
InChIInChI=1S/C72H54N2/c1-49-27-31-51(32-28-49)53-35-39-59(40-36-53)73(57-19-5-3-6-20-57)61-43-45-67-69(47-61)71(65-25-13-17-55-15-9-11-23-63(55)65)68-46-44-62(48-70(68)72(67)66-26-14-18-56-16-10-12-24-64(56)66)74(58-21-7-4-8-22-58)60-41-37-54(38-42-60)52-33-29-50(2)30-34-52/h3-29,31-33,35-48H,30,34H2,1-2H3
InChIKeyLXTPJKGIUPGYOR-UHFFFAOYSA-N
MW947.24 g/mol
LogP20.67
Rot. Bonds10

About 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine

2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine (PubChem CID 89062291) has the molecular formula C72H54N2 and a molecular weight of 947.24 g/mol. Its IUPAC name is 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine.

Molecular Properties

Compound Name2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine
PubChem CID89062291
Molecular FormulaC72H54N2
Molecular Weight947.24 g/mol
Exact Mass946.43
IUPAC Name2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine
SMILESCC1=CC=C(c2ccc(N(c3ccccc3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccccc6)c6ccc(-c7ccc(C)cc7)cc6)ccc5c(-c5cccc6ccccc56)c4c3)cc2)CC1
InChIInChI=1S/C72H54N2/c1-49-27-31-51(32-28-49)53-35-39-59(40-36-53)73(57-19-5-3-6-20-57)61-43-45-67-69(47-61)71(65-25-13-17-55-15-9-11-23-63(55)65)68-46-44-62(48-70(68)72(67)66-26-14-18-56-16-10-12-24-64(56)66)74(58-21-7-4-8-22-58)60-41-37-54(38-42-60)52-33-29-50(2)30-34-52/h3-29,31-33,35-48H,30,34H2,1-2H3
InChIKeyLXTPJKGIUPGYOR-UHFFFAOYSA-N
XLogP20.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.24
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine with MolForge

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Related Compounds

9,10-dinaphthalen-1-yl-2-N,6-N-diphenyl-6-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89151841
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
4-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-N-phenylaniline
CID 90336227
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-naphthalen-1-yl-6-N-naphthalen-2-yl-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89061041
2-N,6-N-bis(4-cyclopentylphenyl)-2-N,6-N-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene-2,6-diamine
CID 143986213
N-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)phenyl]-N-(4-fluorophenyl)-4-phenylaniline
CID 90336189
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine?
The IUPAC name of 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine (CID 89062291) is 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine.
What is the SMILES notation for 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine?
The canonical SMILES for 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine is CC1=CC=C(c2ccc(N(c3ccccc3)c3ccc4c(-c5cccc6ccccc56)c5cc(N(c6ccccc6)c6ccc(-c7ccc(C)cc7)cc6)ccc5c(-c5cccc6ccccc56)c4c3)cc2)CC1.
What is the InChIKey of 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine?
The InChIKey is LXTPJKGIUPGYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2/c1-49-27-31-51(32-28-49)53-35-39-59(40-36-53)73(57-19-5-3-6-20-57)61-43-45-67-69(47-61)71(65-25-13-17-55-15-9-11-23-63(55)65)68-46-44-62(48-70(68)72(67)66-26-14-18-56-16-10-12-24-64(56)66)74(58-21-7-4-8-22-58)60-41-37-54(38-42-60)52-33-29-50(2)30-34-52/h3-29,31-33,35-48H,30,34H2,1-2H3.
What are the key properties of 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine?
2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine has a molecular weight of 947.24 g/mol, XLogP of 20.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-N-[4-(4-methylphenyl)phenyl]-9,10-dinaphthalen-1-yl-2-N,6-N-diphenylanthracene-2,6-diamine is sourced from PubChem (CID 89062291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).