10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine

C83H64N2 — CID 89378193

IUPAC10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine
SMILESCC(C)c1ccc2c(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cc(-c4ccccc4)ccc3c(N(c3cccc(-c4ccccc4)c3)c3ccc(C4C=CC=CC4)c(-c4ccccc4)c3)c2c1
InChIInChI=1S/C83H64N2/c1-58(2)66-44-48-76-80(54-66)82(84(70-42-24-40-67(52-70)59-26-10-3-11-27-59)72-46-50-74(62-32-16-6-17-33-62)78(56-72)64-36-20-8-21-37-64)77-49-45-69(61-30-14-5-15-31-61)55-81(77)83(76)85(71-43-25-41-68(53-71)60-28-12-4-13-29-60)73-47-51-75(63-34-18-7-19-35-63)79(57-73)65-38-22-9-23-39-65/h3-32,34-58,62H,33H2,1-2H3
InChIKeyAHNBZSPJQQKYCE-UHFFFAOYSA-N
MW1089.44 g/mol
LogP23.66
Rot. Bonds14

About 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine

10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine (PubChem CID 89378193) has the molecular formula C83H64N2 and a molecular weight of 1089.44 g/mol. Its IUPAC name is 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine.

Molecular Properties

Compound Name10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine
PubChem CID89378193
Molecular FormulaC83H64N2
Molecular Weight1089.44 g/mol
Exact Mass1088.51
IUPAC Name10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine
SMILESCC(C)c1ccc2c(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cc(-c4ccccc4)ccc3c(N(c3cccc(-c4ccccc4)c3)c3ccc(C4C=CC=CC4)c(-c4ccccc4)c3)c2c1
InChIInChI=1S/C83H64N2/c1-58(2)66-44-48-76-80(54-66)82(84(70-42-24-40-67(52-70)59-26-10-3-11-27-59)72-46-50-74(62-32-16-6-17-33-62)78(56-72)64-36-20-8-21-37-64)77-49-45-69(61-30-14-5-15-31-61)55-81(77)83(76)85(71-43-25-41-68(53-71)60-28-12-4-13-29-60)73-47-51-75(63-34-18-7-19-35-63)79(57-73)65-38-22-9-23-39-65/h3-32,34-58,62H,33H2,1-2H3
InChIKeyAHNBZSPJQQKYCE-UHFFFAOYSA-N
XLogP23.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.44
LogP ≤ 523.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine with MolForge

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Related Compounds

N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
CID 170214346
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,4-diphenylaniline
CID 157170730
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
N-[3-(7-cyclohexa-2,4-dien-1-yl-5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167253532
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
10-[4-[3-[3-[4-(3,4-diphenylphenyl)-N-[10-[4-[3-[3-[N-[10-(4-phenylphenyl)phenanthren-9-yl]-4-[4-(2-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenanthren-9-yl]anilino]phenyl]phenyl]phenyl]-N-phenyl-N-[3-phenyl-4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 155305411
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-(3,4-diphenylphenyl)-2,6-diphenylaniline
CID 169062709
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
N-cyclohexa-2,4-dien-1-yl-N-[4-(4-methylphenyl)phenyl]-3-triphenylen-2-ylaniline;ethane;2-(3-methylphenyl)triphenylene;toluene
CID 145321587
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
7'-[(E)-2-[4-(8-cyclohexa-2,4-dien-1-yl-5-phenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 89074881

Frequently Asked Questions

What is the IUPAC name of 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine?
The IUPAC name of 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine (CID 89378193) is 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine.
What is the SMILES notation for 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine?
The canonical SMILES for 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine is CC(C)c1ccc2c(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3cc(-c4ccccc4)ccc3c(N(c3cccc(-c4ccccc4)c3)c3ccc(C4C=CC=CC4)c(-c4ccccc4)c3)c2c1.
What is the InChIKey of 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine?
The InChIKey is AHNBZSPJQQKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H64N2/c1-58(2)66-44-48-76-80(54-66)82(84(70-42-24-40-67(52-70)59-26-10-3-11-27-59)72-46-50-74(62-32-16-6-17-33-62)78(56-72)64-36-20-8-21-37-64)77-49-45-69(61-30-14-5-15-31-61)55-81(77)83(76)85(71-43-25-41-68(53-71)60-28-12-4-13-29-60)73-47-51-75(63-34-18-7-19-35-63)79(57-73)65-38-22-9-23-39-65/h3-32,34-58,62H,33H2,1-2H3.
What are the key properties of 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine?
10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine has a molecular weight of 1089.44 g/mol, XLogP of 23.66, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine is sourced from PubChem (CID 89378193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).