bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene

C102H83N5 — CID 157467248

IUPACbis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.Cc1ccccc1
InChIInChI=1S/5C19H15N.C7H8/c2*1-14-8-7-12-17-16-11-5-6-13-18(16)20(19(14)17)15-9-3-2-4-10-15;1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-7-5-3-2-4-6-7/h5*2-13H,1H3;2-6H,1H3
InChIKeyBUPWVDXNHPELDM-UHFFFAOYSA-N
MW1378.82 g/mol
LogP27.46
Rot. Bonds5

About bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene

bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene (PubChem CID 157467248) has the molecular formula C102H83N5 and a molecular weight of 1378.82 g/mol. Its IUPAC name is bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene.

Molecular Properties

Compound Namebis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
PubChem CID157467248
Molecular FormulaC102H83N5
Molecular Weight1378.82 g/mol
Exact Mass1377.66
IUPAC Namebis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.Cc1ccccc1
InChIInChI=1S/5C19H15N.C7H8/c2*1-14-8-7-12-17-16-11-5-6-13-18(16)20(19(14)17)15-9-3-2-4-10-15;1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-7-5-3-2-4-6-7/h5*2-13H,1H3;2-6H,1H3
InChIKeyBUPWVDXNHPELDM-UHFFFAOYSA-N
XLogP27.46
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001378.82
LogP ≤ 527.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole
CID 159994070
9-methylcarbazole;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole
CID 157064367
1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;1-(4-methylphenyl)-9-phenylcarbazole
CID 160931079
1-methyl-5,9-diphenylcarbazole;1-methyl-6,9-diphenylcarbazole;2-methyl-6,9-diphenylcarbazole;2-methyl-7,9-diphenylcarbazole;3-methyl-6,9-diphenylcarbazole;5-methyl-2,9-diphenylcarbazole;5-methyl-3,9-diphenylcarbazole;6-methyl-2,9-diphenylcarbazole
CID 161145028
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
9-methylcarbazole;4-methyl-9-phenylcarbazole;toluene
CID 158058919
2-methyl-9-phenylcarbazole
CID 59552741
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
7-(4-methylphenyl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 118504699
6,17-dimethyl-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene;3,9-dimethyl-5,12-diphenylindolo[3,2-c]carbazole;4,10-dimethyl-12-phenyl-[1]benzothiolo[3,2-a]carbazole;3,9-dimethyl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 157440445

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene?
The IUPAC name of bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene (CID 157467248) is bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene.
What is the SMILES notation for bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene?
The canonical SMILES for bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene is Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.Cc1cccc2c1c1ccccc1n2-c1ccccc1.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.Cc1cccc2c3ccccc3n(-c3ccccc3)c12.Cc1ccccc1.
What is the InChIKey of bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene?
The InChIKey is BUPWVDXNHPELDM-UHFFFAOYSA-N. The full InChI is InChI=1S/5C19H15N.C7H8/c2*1-14-8-7-12-17-16-11-5-6-13-18(16)20(19(14)17)15-9-3-2-4-10-15;1-14-8-7-13-18-19(14)16-11-5-6-12-17(16)20(18)15-9-3-2-4-10-15;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15;1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-7-5-3-2-4-6-7/h5*2-13H,1H3;2-6H,1H3.
What are the key properties of bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene?
bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene has a molecular weight of 1378.82 g/mol, XLogP of 27.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-9-phenylcarbazole);2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;4-methyl-9-phenylcarbazole;toluene is sourced from PubChem (CID 157467248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).