9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

C64H52N2 — CID 59766421

IUPAC9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(C4=CC=C(C5=CC=CCC5)CC4)c3c2)cc1
InChIInChI=1S/C64H52N2/c1-45-23-35-55(36-24-45)65(53-19-11-5-12-20-53)57-39-41-59-61(43-57)63(51-31-27-49(28-32-51)47-15-7-3-8-16-47)60-42-40-58(66(54-21-13-6-14-22-54)56-37-25-46(2)26-38-56)44-62(60)64(59)52-33-29-50(30-34-52)48-17-9-4-10-18-48/h3-9,11-17,19-29,31-33,35-44H,10,18,30,34H2,1-2H3
InChIKeyHHRGGWNBZWOBLH-UHFFFAOYSA-N
MW849.13 g/mol
LogP18.26
Rot. Bonds10

About 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine

9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (PubChem CID 59766421) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
PubChem CID59766421
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC Name9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(C4=CC=C(C5=CC=CCC5)CC4)c3c2)cc1
InChIInChI=1S/C64H52N2/c1-45-23-35-55(36-24-45)65(53-19-11-5-12-20-53)57-39-41-59-61(43-57)63(51-31-27-49(28-32-51)47-15-7-3-8-16-47)60-42-40-58(66(54-21-13-6-14-22-54)56-37-25-46(2)26-38-56)44-62(60)64(59)52-33-29-50(30-34-52)48-17-9-4-10-18-48/h3-9,11-17,19-29,31-33,35-44H,10,18,30,34H2,1-2H3
InChIKeyHHRGGWNBZWOBLH-UHFFFAOYSA-N
XLogP18.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine with MolForge

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Related Compounds

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-13-(4-phenylphenyl)pentacene
CID 164763728
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,2-N,6-N,6-N-tetranaphthalen-2-yl-9-(4-phenylcyclohexa-1,3-dien-1-yl)-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 89152588
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
2-N,2-N,6-N,6-N,9,10-hexakis(4-phenylphenyl)anthracene-2,6-diamine
CID 90194161
4-cyclohexa-1,3-dien-1-yl-N-[4-[4-(N-[4-(5-methylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118402803
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
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
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine (CID 59766421) is 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(C)cc5)ccc4c(C4=CC=C(C5=CC=CCC5)CC4)c3c2)cc1.
What is the InChIKey of 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is HHRGGWNBZWOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-45-23-35-55(36-24-45)65(53-19-11-5-12-20-53)57-39-41-59-61(43-57)63(51-31-27-49(28-32-51)47-15-7-3-8-16-47)60-42-40-58(66(54-21-13-6-14-22-54)56-37-25-46(2)26-38-56)44-62(60)64(59)52-33-29-50(30-34-52)48-17-9-4-10-18-48/h3-9,11-17,19-29,31-33,35-44H,10,18,30,34H2,1-2H3.
What are the key properties of 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine?
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 849.13 g/mol, XLogP of 18.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 59766421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).