N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene

C59H63NO — CID 144579180

IUPACN-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccc(N(C3=CCC(C4=CCCC=C4)C=C3)c3ccc(-c4cccc5c(C)c(C)oc45)cc3)cc2)ccc1C
InChIInChI=1S/C48H43NO.C7H8.2C2H6/c1-32-11-8-9-14-44(32)47-31-40(18-17-33(47)2)38-21-27-42(28-22-38)49(41-25-19-37(20-26-41)36-12-6-5-7-13-36)43-29-23-39(24-30-43)46-16-10-15-45-34(3)35(4)50-48(45)46;1-7-5-3-2-4-6-7;2*1-2/h6,8-19,21-31,37H,5,7,20H2,1-4H3;2-6H,1H3;2*1-2H3
InChIKeyKVEGEUGTNFRBGW-UHFFFAOYSA-N
MW802.16 g/mol
LogP17.59
Rot. Bonds7

About N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene

N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene (PubChem CID 144579180) has the molecular formula C59H63NO and a molecular weight of 802.16 g/mol. Its IUPAC name is N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene.

Molecular Properties

Compound NameN-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene
PubChem CID144579180
Molecular FormulaC59H63NO
Molecular Weight802.16 g/mol
Exact Mass801.49
IUPAC NameN-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene
SMILESCC.CC.Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccc(N(C3=CCC(C4=CCCC=C4)C=C3)c3ccc(-c4cccc5c(C)c(C)oc45)cc3)cc2)ccc1C
InChIInChI=1S/C48H43NO.C7H8.2C2H6/c1-32-11-8-9-14-44(32)47-31-40(18-17-33(47)2)38-21-27-42(28-22-38)49(41-25-19-37(20-26-41)36-12-6-5-7-13-36)43-29-23-39(24-30-43)46-16-10-15-45-34(3)35(4)50-48(45)46;1-7-5-3-2-4-6-7;2*1-2/h6,8-19,21-31,37H,5,7,20H2,1-4H3;2-6H,1H3;2*1-2H3
InChIKeyKVEGEUGTNFRBGW-UHFFFAOYSA-N
XLogP17.59
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.16
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene with MolForge

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Related Compounds

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(6-phenyldibenzofuran-2-yl)aniline
CID 129311289
N-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-(2-methylphenyl)-N-(4-phenylphenyl)aniline
CID 130250362
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144661291
[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-[4-[4-methyl-3-(2-methylphenyl)naphthalen-1-yl]phenyl]-(4-phenylphenyl)borane
CID 144579241
N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]dibenzofuran-4-yl]aniline;4-methyl-N-[4-[6-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-methylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[6-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-4-yl]phenyl]aniline
CID 158337662
N-[4-(4-cyclohexa-1,5-dien-1-ylcyclohexa-2,4-dien-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine
CID 175631019
11-N-(4-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-4-N-(4-dibenzofuran-4-ylphenyl)-4-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,9,11,13(17)-hexaene-4,11-diamine
CID 168855702
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
N-(4-dibenzothiophen-4-ylphenyl)-4-[4-methyl-3-(2-methylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144579175

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene?
The IUPAC name of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene (CID 144579180) is N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene.
What is the SMILES notation for N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene?
The canonical SMILES for N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene is CC.CC.Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccc(N(C3=CCC(C4=CCCC=C4)C=C3)c3ccc(-c4cccc5c(C)c(C)oc45)cc3)cc2)ccc1C.
What is the InChIKey of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene?
The InChIKey is KVEGEUGTNFRBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43NO.C7H8.2C2H6/c1-32-11-8-9-14-44(32)47-31-40(18-17-33(47)2)38-21-27-42(28-22-38)49(41-25-19-37(20-26-41)36-12-6-5-7-13-36)43-29-23-39(24-30-43)46-16-10-15-45-34(3)35(4)50-48(45)46;1-7-5-3-2-4-6-7;2*1-2/h6,8-19,21-31,37H,5,7,20H2,1-4H3;2-6H,1H3;2*1-2H3.
What are the key properties of N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene?
N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene has a molecular weight of 802.16 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dimethyl-1-benzofuran-7-yl)phenyl]-4-[4-methyl-3-(2-methylphenyl)phenyl]aniline;ethane;toluene is sourced from PubChem (CID 144579180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).