ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene

C68H60 — CID 142319004

IUPACethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene
SMILESCC.CC1C=CC=C/C1=C\c1ccc2c(C3=CC=C(c4ccccc4)CC3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccccc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C46H36.C20H18.C2H6/c1-32-12-8-9-17-40(32)30-33-20-29-43-44(31-33)46(39-27-23-37(24-28-39)35-15-6-3-7-16-35)42-19-11-10-18-41(42)45(43)38-25-21-36(22-26-38)34-13-4-2-5-14-34;1-16-7-5-6-10-20(16)15-17-11-13-19(14-12-17)18-8-3-2-4-9-18;1-2/h2-21,23-25,27-32H,22,26H2,1H3;2-14H,15H2,1H3;1-2H3/b40-30+;;
InChIKeyKIUYEZIQKZYTAG-VVVFDDFWSA-N
MW877.23 g/mol
LogP19.01
Rot. Bonds8

About ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene

ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene (PubChem CID 142319004) has the molecular formula C68H60 and a molecular weight of 877.23 g/mol. Its IUPAC name is ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene.

Molecular Properties

Compound Nameethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene
PubChem CID142319004
Molecular FormulaC68H60
Molecular Weight877.23 g/mol
Exact Mass876.47
IUPAC Nameethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene
SMILESCC.CC1C=CC=C/C1=C\c1ccc2c(C3=CC=C(c4ccccc4)CC3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccccc1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C46H36.C20H18.C2H6/c1-32-12-8-9-17-40(32)30-33-20-29-43-44(31-33)46(39-27-23-37(24-28-39)35-15-6-3-7-16-35)42-19-11-10-18-41(42)45(43)38-25-21-36(22-26-38)34-13-4-2-5-14-34;1-16-7-5-6-10-20(16)15-17-11-13-19(14-12-17)18-8-3-2-4-9-18;1-2/h2-21,23-25,27-32H,22,26H2,1H3;2-14H,15H2,1H3;1-2H3/b40-30+;;
InChIKeyKIUYEZIQKZYTAG-VVVFDDFWSA-N
XLogP19.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.23
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,2-N-dimethyl-2-N-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]benzene-1,2-diamine;ethane
CID 145412917
1-phenyl-2-[9-phenyl-10-(4-phenylcyclohexa-1,3-dien-1-yl)anthracen-2-yl]benzimidazole
CID 130184277
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
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
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
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-diphenyl-2-[2-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene
CID 58402318
6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-13-(4-phenylphenyl)pentacene
CID 164763728
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene?
The IUPAC name of ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene (CID 142319004) is ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene.
What is the SMILES notation for ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene?
The canonical SMILES for ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene is CC.CC1C=CC=C/C1=C\c1ccc2c(C3=CC=C(c4ccccc4)CC3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccccc1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene?
The InChIKey is KIUYEZIQKZYTAG-VVVFDDFWSA-N. The full InChI is InChI=1S/C46H36.C20H18.C2H6/c1-32-12-8-9-17-40(32)30-33-20-29-43-44(31-33)46(39-27-23-37(24-28-39)35-15-6-3-7-16-35)42-19-11-10-18-41(42)45(43)38-25-21-36(22-26-38)34-13-4-2-5-14-34;1-16-7-5-6-10-20(16)15-17-11-13-19(14-12-17)18-8-3-2-4-9-18;1-2/h2-21,23-25,27-32H,22,26H2,1H3;2-14H,15H2,1H3;1-2H3/b40-30+;;.
What are the key properties of ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene?
ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene has a molecular weight of 877.23 g/mol, XLogP of 19.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-(6-methylcyclohexa-2,4-dien-1-ylidene)methyl]-10-(4-phenylcyclohexa-1,3-dien-1-yl)-9-(4-phenylphenyl)anthracene;1-methyl-2-[(4-phenylphenyl)methyl]benzene is sourced from PubChem (CID 142319004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).