2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine

C70H54N2 — CID 89189708

IUPAC2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
SMILESC1=CCCC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(C5=CCC(c6ccccc6)C=C5)c5ccccc5)ccc4c(C4=c5ccccc5=CCC4)c3c2)=C1
InChIInChI=1S/C70H54N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1-11,13-17,19-29,31-33,35,37-48,51H,12,18,30,34,36H2
InChIKeyCHBWSFFPCBXTNO-UHFFFAOYSA-N
MW923.22 g/mol
LogP17.39
Rot. Bonds10

About 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine

2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 89189708) has the molecular formula C70H54N2 and a molecular weight of 923.22 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID89189708
Molecular FormulaC70H54N2
Molecular Weight923.22 g/mol
Exact Mass922.43
IUPAC Name2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
SMILESC1=CCCC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(C5=CCC(c6ccccc6)C=C5)c5ccccc5)ccc4c(C4=c5ccccc5=CCC4)c3c2)=C1
InChIInChI=1S/C70H54N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1-11,13-17,19-29,31-33,35,37-48,51H,12,18,30,34,36H2
InChIKeyCHBWSFFPCBXTNO-UHFFFAOYSA-N
XLogP17.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.22
LogP ≤ 517.39
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-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine with MolForge

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Related Compounds

6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667
9-(2,3-dihydronaphthalen-1-yl)-6-N-(7,8-dihydronaphthalen-2-yl)-10-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-ylanthracene-2,6-diamine
CID 89178678
9-(4-methylphenyl)-10-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N,2-N,6-N-tris(4-phenylphenyl)anthracene-2,6-diamine
CID 59766431
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
2-(2,3-dihydronaphthalen-1-yl)-6,10-dinaphthalen-1-yl-9-phenylanthracene
CID 143986271
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
CID 143258012
6-N-(4,4a-dihydronaphthalen-2-yl)-9-naphthalen-1-yl-2-N,2-N,6-N-trinaphthalen-2-yl-10-phenylanthracene-2,6-diamine
CID 89061049
9-naphthalen-1-yl-2-N,2-N,6-N,6-N-tetraphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 58895480
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
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
9-naphthalen-1-yl-10-phenyl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 59766228
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine (CID 89189708) is 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine is C1=CCCC(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(-c4cccc5ccccc45)c4cc(N(C5=CCC(c6ccccc6)C=C5)c5ccccc5)ccc4c(C4=c5ccccc5=CCC4)c3c2)=C1.
What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is CHBWSFFPCBXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N2/c1-5-19-49(20-6-1)51-35-39-57(40-36-51)71(55-27-9-3-10-28-55)59-43-45-65-67(47-59)69(63-33-17-25-53-23-13-15-31-61(53)63)66-46-44-60(48-68(66)70(65)64-34-18-26-54-24-14-16-32-62(54)64)72(56-29-11-4-12-30-56)58-41-37-52(38-42-58)50-21-7-2-8-22-50/h1-11,13-17,19-29,31-33,35,37-48,51H,12,18,30,34,36H2.
What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine?
2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 923.22 g/mol, XLogP of 17.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 89189708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).