1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene

C43H40N2 — CID 145243305

IUPAC1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene
SMILESCC1(C)C(c2ccccc2)=Nc2cc3c(cc21)[nH]c1ccccc13.Cc1ccccc1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C22H18N2.C14H14.C7H8/c1-22(2)17-13-19-16(15-10-6-7-11-18(15)23-19)12-20(17)24-21(22)14-8-4-3-5-9-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-7-5-3-2-4-6-7/h3-13,23H,1-2H3;3-10H,1-2H3;2-6H,1H3
InChIKeyWLMBNLWKUYOUIU-UHFFFAOYSA-N
MW584.81 g/mol
LogP11.70
Rot. Bonds2

About 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene

1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene (PubChem CID 145243305) has the molecular formula C43H40N2 and a molecular weight of 584.81 g/mol. Its IUPAC name is 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene.

Molecular Properties

Compound Name1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene
PubChem CID145243305
Molecular FormulaC43H40N2
Molecular Weight584.81 g/mol
Exact Mass584.32
IUPAC Name1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene
SMILESCC1(C)C(c2ccccc2)=Nc2cc3c(cc21)[nH]c1ccccc13.Cc1ccccc1.Cc1ccccc1-c1ccccc1C
InChIInChI=1S/C22H18N2.C14H14.C7H8/c1-22(2)17-13-19-16(15-10-6-7-11-18(15)23-19)12-20(17)24-21(22)14-8-4-3-5-9-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-7-5-3-2-4-6-7/h3-13,23H,1-2H3;3-10H,1-2H3;2-6H,1H3
InChIKeyWLMBNLWKUYOUIU-UHFFFAOYSA-N
XLogP11.70
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 511.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole
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CID 139479961
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
2-(3-phenyl-9H-carbazol-2-yl)aniline
CID 175440739
1-[4-[4-(9H-carbazol-1-yl)-2-methylphenyl]-3-methylphenyl]-9H-carbazole
CID 159544666
spiro[5H-indeno[2,1-b]carbazole-7,9'-fluorene]
CID 66804950
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
3-(3,4-dimethylnaphthalen-1-yl)-9H-carbazole
CID 144661628
15,15-dimethyl-5-azaheptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6,8,10,12,16,18(27),20,22,24-dodecaene-19,26-dione
CID 70798463
benzene;ethane;3-(4-methylphenyl)-6-phenyl-9H-carbazole
CID 143905034

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene?
The IUPAC name of 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene (CID 145243305) is 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene.
What is the SMILES notation for 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene?
The canonical SMILES for 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene is CC1(C)C(c2ccccc2)=Nc2cc3c(cc21)[nH]c1ccccc13.Cc1ccccc1.Cc1ccccc1-c1ccccc1C.
What is the InChIKey of 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene?
The InChIKey is WLMBNLWKUYOUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2.C14H14.C7H8/c1-22(2)17-13-19-16(15-10-6-7-11-18(15)23-19)12-20(17)24-21(22)14-8-4-3-5-9-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-7-5-3-2-4-6-7/h3-13,23H,1-2H3;3-10H,1-2H3;2-6H,1H3.
What are the key properties of 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene?
1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene has a molecular weight of 584.81 g/mol, XLogP of 11.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene is sourced from PubChem (CID 145243305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).