1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine

C48H54N2 — CID 130240799

IUPAC1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine
SMILESCc1ccc(N(C2=C3C=C(C(C)C)CC(C)C3C(C)(N(C3=CCC(C)C=C3)c3ccccc3)c3cc(C(C)C)ccc32)c2ccccc2)cc1
InChIInChI=1S/C48H54N2/c1-32(2)37-23-28-43-45(31-37)48(8,50(41-17-13-10-14-18-41)42-26-21-35(6)22-27-42)46-36(7)29-38(33(3)4)30-44(46)47(43)49(39-15-11-9-12-16-39)40-24-19-34(5)20-25-40/h9-21,23-28,30-33,35-36,46H,22,29H2,1-8H3
InChIKeyMNNXAMNAKUUGFZ-UHFFFAOYSA-N
MW658.97 g/mol
LogP13.12
Rot. Bonds8

About 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine

1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine (PubChem CID 130240799) has the molecular formula C48H54N2 and a molecular weight of 658.97 g/mol. Its IUPAC name is 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine.

Molecular Properties

Compound Name1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine
PubChem CID130240799
Molecular FormulaC48H54N2
Molecular Weight658.97 g/mol
Exact Mass658.43
IUPAC Name1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine
SMILESCc1ccc(N(C2=C3C=C(C(C)C)CC(C)C3C(C)(N(C3=CCC(C)C=C3)c3ccccc3)c3cc(C(C)C)ccc32)c2ccccc2)cc1
InChIInChI=1S/C48H54N2/c1-32(2)37-23-28-43-45(31-37)48(8,50(41-17-13-10-14-18-41)42-26-21-35(6)22-27-42)46-36(7)29-38(33(3)4)30-44(46)47(43)49(39-15-11-9-12-16-39)40-24-19-34(5)20-25-40/h9-21,23-28,30-33,35-36,46H,22,29H2,1-8H3
InChIKeyMNNXAMNAKUUGFZ-UHFFFAOYSA-N
XLogP13.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.97
LogP ≤ 513.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
6-N-(4-methylcyclohexa-1,5-dien-1-yl)-6-N,12-N-bis(4-methylphenyl)-12-N-phenylchrysene-6,12-diamine
CID 155198350
7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 58918406
4-[2,4-di(propan-2-yl)phenyl]-N,N-diphenylaniline
CID 173271590
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
N-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]phenyl]triphenylen-2-amine
CID 134321142
N-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(4-methylphenyl)-9,9-diphenyl-7-(2-phenylphenyl)fluoren-2-amine
CID 144950157
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
9,12,12,15,15,18-hexamethylhexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene;N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline;4-methyl-N,6-diphenylcyclohexa-2,4-dien-1-amine;toluene
CID 143607827
9,9-dimethyl-2-N-(3-methylcyclohexa-1,5-dien-1-yl)-7-N-(5-methylcyclohexa-1,5-dien-1-yl)-2-N,7-N-diphenyl-1,2-dihydrofluorene-2,7-diamine
CID 163470569
N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenyl-3-[(E)-2-phenylethenyl]-4-[3-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]aniline
CID 163791718
1-N,3-N-bis(4-methylphenyl)-5-phenyl-1-N,3-N-bis(4-propan-2-ylphenyl)benzene-1,3-diamine
CID 22900262

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine?
The IUPAC name of 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine (CID 130240799) is 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine.
What is the SMILES notation for 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine?
The canonical SMILES for 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine is Cc1ccc(N(C2=C3C=C(C(C)C)CC(C)C3C(C)(N(C3=CCC(C)C=C3)c3ccccc3)c3cc(C(C)C)ccc32)c2ccccc2)cc1.
What is the InChIKey of 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine?
The InChIKey is MNNXAMNAKUUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54N2/c1-32(2)37-23-28-43-45(31-37)48(8,50(41-17-13-10-14-18-41)42-26-21-35(6)22-27-42)46-36(7)29-38(33(3)4)30-44(46)47(43)49(39-15-11-9-12-16-39)40-24-19-34(5)20-25-40/h9-21,23-28,30-33,35-36,46H,22,29H2,1-8H3.
What are the key properties of 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine?
1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine has a molecular weight of 658.97 g/mol, XLogP of 13.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-9-N-(4-methylcyclohexa-1,5-dien-1-yl)-10-N-(4-methylphenyl)-9-N,10-N-diphenyl-3,7-di(propan-2-yl)-2,9a-dihydro-1H-anthracene-9,10-diamine is sourced from PubChem (CID 130240799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).