2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol

C42H46N2O — CID 144989095

IUPAC2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol
SMILESCCO.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccc(CC(C)C)cc1)c1cc(C)ccc1n3-c1ccc(CC(C)C)cc1
InChIInChI=1S/C40H40N2.C2H6O/c1-25(2)19-29-9-13-31(14-10-29)41-37-17-7-27(5)21-33(37)35-24-40-36(23-39(35)41)34-22-28(6)8-18-38(34)42(40)32-15-11-30(12-16-32)20-26(3)4;1-2-3/h7-18,21-26H,19-20H2,1-6H3;3H,2H2,1H3
InChIKeyAABMUAKYFSUFOV-UHFFFAOYSA-N
MW594.84 g/mol
LogP10.89
Rot. Bonds6

About 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol

2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol (PubChem CID 144989095) has the molecular formula C42H46N2O and a molecular weight of 594.84 g/mol. Its IUPAC name is 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol.

Molecular Properties

Compound Name2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol
PubChem CID144989095
Molecular FormulaC42H46N2O
Molecular Weight594.84 g/mol
Exact Mass594.36
IUPAC Name2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol
SMILESCCO.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccc(CC(C)C)cc1)c1cc(C)ccc1n3-c1ccc(CC(C)C)cc1
InChIInChI=1S/C40H40N2.C2H6O/c1-25(2)19-29-9-13-31(14-10-29)41-37-17-7-27(5)21-33(37)35-24-40-36(23-39(35)41)34-22-28(6)8-18-38(34)42(40)32-15-11-30(12-16-32)20-26(3)4;1-2-3/h7-18,21-26H,19-20H2,1-6H3;3H,2H2,1H3
InChIKeyAABMUAKYFSUFOV-UHFFFAOYSA-N
XLogP10.89
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.84
LogP ≤ 510.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
4-[[4-(3,6-dimethylcarbazol-9-yl)phenyl]methyl]aniline
CID 143119094
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
2,9-dimethyl-5-[8-methyl-5,11-bis(4-methylphenyl)indolo[3,2-b]carbazol-2-yl]-12-(4-methylphenyl)indolo[3,2-c]carbazole
CID 90195030
3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
CID 59683855
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
9-[4-[(E)-2-[4-[4-[(E)-2-[4-(3,6-dimethylcarbazol-9-yl)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-3,6-dimethylcarbazole
CID 140923989
3-methyl-9-(4-methylphenyl)-6-[9-(4-methylphenyl)-6-[9-(4-methylphenyl)carbazol-3-yl]carbazol-3-yl]carbazole
CID 70866701

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol?
The IUPAC name of 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol (CID 144989095) is 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol.
What is the SMILES notation for 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol?
The canonical SMILES for 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol is CCO.Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccc(CC(C)C)cc1)c1cc(C)ccc1n3-c1ccc(CC(C)C)cc1.
What is the InChIKey of 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol?
The InChIKey is AABMUAKYFSUFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N2.C2H6O/c1-25(2)19-29-9-13-31(14-10-29)41-37-17-7-27(5)21-33(37)35-24-40-36(23-39(35)41)34-22-28(6)8-18-38(34)42(40)32-15-11-30(12-16-32)20-26(3)4;1-2-3/h7-18,21-26H,19-20H2,1-6H3;3H,2H2,1H3.
What are the key properties of 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol?
2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol has a molecular weight of 594.84 g/mol, XLogP of 10.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,11-bis[4-(2-methylpropyl)phenyl]indolo[3,2-b]carbazole;ethanol is sourced from PubChem (CID 144989095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).