ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole

C29H26N2 — CID 145243253

IUPACethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole
SMILESCC.CC1(c2ccccc2)C(c2ccccc2)=Nc2cc3c(cc21)[nH]c1ccccc13
InChIInChI=1S/C27H20N2.C2H6/c1-27(19-12-6-3-7-13-19)22-17-24-21(20-14-8-9-15-23(20)28-24)16-25(22)29-26(27)18-10-4-2-5-11-18;1-2/h2-17,28H,1H3;1-2H3
InChIKeyIFFXGNKKPLMTPE-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.79
Rot. Bonds2

About ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole

ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole (PubChem CID 145243253) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Nameethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole
PubChem CID145243253
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC Nameethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole
SMILESCC.CC1(c2ccccc2)C(c2ccccc2)=Nc2cc3c(cc21)[nH]c1ccccc13
InChIInChI=1S/C27H20N2.C2H6/c1-27(19-12-6-3-7-13-19)22-17-24-21(20-14-8-9-15-23(20)28-24)16-25(22)29-26(27)18-10-4-2-5-11-18;1-2/h2-17,28H,1H3;1-2H3
InChIKeyIFFXGNKKPLMTPE-UHFFFAOYSA-N
XLogP7.79
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene
CID 145243305
N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine
CID 126560392
21-methyl-21-phenyl-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 142735736
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
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
bromomethane;9H-carbazole
CID 67594562
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063
1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole
CID 145243302
9H-carbazole
CID 66668984
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
3,9-dihydropyrrolo[3,2-b]carbazole-2-carboxylic acid
CID 57098524

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole?
The IUPAC name of ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole (CID 145243253) is ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole.
What is the SMILES notation for ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole?
The canonical SMILES for ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole is CC.CC1(c2ccccc2)C(c2ccccc2)=Nc2cc3c(cc21)[nH]c1ccccc13.
What is the InChIKey of ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole?
The InChIKey is IFFXGNKKPLMTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2.C2H6/c1-27(19-12-6-3-7-13-19)22-17-24-21(20-14-8-9-15-23(20)28-24)16-25(22)29-26(27)18-10-4-2-5-11-18;1-2/h2-17,28H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole?
ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole has a molecular weight of 402.54 g/mol, XLogP of 7.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 145243253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).