2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane

C36H34N2 — CID 145449640

IUPAC2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
SMILESCCC.Cc1ccccc1-c1cc2c(cc1C)c1cc3c(cc1n2C)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C33H26N2.C3H8/c1-21-11-7-8-14-24(21)26-18-31-27(17-22(26)2)29-20-33-28(19-32(29)34(31)3)25-15-9-10-16-30(25)35(33)23-12-5-4-6-13-23;1-3-2/h4-20H,1-3H3;3H2,1-2H3
InChIKeyXCPWLRZXFKAUNZ-UHFFFAOYSA-N
MW494.68 g/mol
LogP10.13
Rot. Bonds2

About 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane

2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane (PubChem CID 145449640) has the molecular formula C36H34N2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane.

Molecular Properties

Compound Name2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
PubChem CID145449640
Molecular FormulaC36H34N2
Molecular Weight494.68 g/mol
Exact Mass494.27
IUPAC Name2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane
SMILESCCC.Cc1ccccc1-c1cc2c(cc1C)c1cc3c(cc1n2C)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C33H26N2.C3H8/c1-21-11-7-8-14-24(21)26-18-31-27(17-22(26)2)29-20-33-28(19-32(29)34(31)3)25-15-9-10-16-30(25)35(33)23-12-5-4-6-13-23;1-3-2/h4-20H,1-3H3;3H2,1-2H3
InChIKeyXCPWLRZXFKAUNZ-UHFFFAOYSA-N
XLogP10.13
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-6-(2-methylphenyl)-9-phenyl-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 170180491
5-methyl-1,11-diphenylindolo[3,2-b]carbazole
CID 176615313
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)carbazole
CID 146535538
4-(5-methylindolo[3,2-b]carbazol-11-yl)-N,N-bis[4-(5-methylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 138662214
2-methyl-3-[2-methyl-5-[9-[4-methyl-3-(2-methylphenyl)phenyl]dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 166096450
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
7-methyl-5-phenylindolo[2,3-b]carbazole;5-(3-methylphenyl)-7-phenylindolo[2,3-b]carbazole;5-(4-methylphenyl)-7-phenylindolo[2,3-b]carbazole;11-(4-methylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 163939990
5-(cyclodecapentaenyl)-11-(2-methylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 145024523
N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline
CID 71107984

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane?
The IUPAC name of 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane (CID 145449640) is 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane.
What is the SMILES notation for 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane?
The canonical SMILES for 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane is CCC.Cc1ccccc1-c1cc2c(cc1C)c1cc3c(cc1n2C)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane?
The InChIKey is XCPWLRZXFKAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2.C3H8/c1-21-11-7-8-14-24(21)26-18-31-27(17-22(26)2)29-20-33-28(19-32(29)34(31)3)25-15-9-10-16-30(25)35(33)23-12-5-4-6-13-23;1-3-2/h4-20H,1-3H3;3H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane?
2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane has a molecular weight of 494.68 g/mol, XLogP of 10.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2-methylphenyl)-11-phenylindolo[3,2-b]carbazole;propane is sourced from PubChem (CID 145449640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).