2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole

C30H28N2 — CID 138661064

IUPAC2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole
SMILESCc1ccc2c(c1C)c1ccc(Cc3ccc(C)c4c5ccccc5n(C)c34)cc1n2C
InChIInChI=1S/C30H28N2/c1-18-11-15-26-29(20(18)3)24-14-12-21(17-27(24)31(26)4)16-22-13-10-19(2)28-23-8-6-7-9-25(23)32(5)30(22)28/h6-15,17H,16H2,1-5H3
InChIKeyLPXKRVBGCABCQX-UHFFFAOYSA-N
MW416.57 g/mol
LogP7.49
Rot. Bonds2

About 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole

2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole (PubChem CID 138661064) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole.

Molecular Properties

Compound Name2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole
PubChem CID138661064
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole
SMILESCc1ccc2c(c1C)c1ccc(Cc3ccc(C)c4c5ccccc5n(C)c34)cc1n2C
InChIInChI=1S/C30H28N2/c1-18-11-15-26-29(20(18)3)24-14-12-21(17-27(24)31(26)4)16-22-13-10-19(2)28-23-8-6-7-9-25(23)32(5)30(22)28/h6-15,17H,16H2,1-5H3
InChIKeyLPXKRVBGCABCQX-UHFFFAOYSA-N
XLogP7.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194410
5,12-dimethyl-9-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194420
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
2,5-diethyl-9-methylcarbazole
CID 135251724
2-ethyl-9-methylcarbazole
CID 71038255
ethane;1,2,9-trimethylcarbazole
CID 160838686
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
CID 153374745
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
5,9,11-trimethyl-12-(2-methylphenyl)indolo[3,2-c]carbazole
CID 170295105
1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran
CID 138662441
8,30-dimethyl-5,8,27,30-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.09,14.028,40.029,37.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),9,11,13,16,19(46),20,22,25,28(40),29(37),31,33,35,38,41(45),42-henicosaene;14,36-dimethyl-5,14,27,36-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 165023613
2,4,9-trimethylcarbazole
CID 12613661

Frequently Asked Questions

What is the IUPAC name of 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole?
The IUPAC name of 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole (CID 138661064) is 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole.
What is the SMILES notation for 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole?
The canonical SMILES for 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole is Cc1ccc2c(c1C)c1ccc(Cc3ccc(C)c4c5ccccc5n(C)c34)cc1n2C.
What is the InChIKey of 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole?
The InChIKey is LPXKRVBGCABCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-18-11-15-26-29(20(18)3)24-14-12-21(17-27(24)31(26)4)16-22-13-10-19(2)28-23-8-6-7-9-25(23)32(5)30(22)28/h6-15,17H,16H2,1-5H3.
What are the key properties of 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole?
2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole has a molecular weight of 416.57 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,9-dimethylcarbazol-1-yl)methyl]-5,6,9-trimethylcarbazole is sourced from PubChem (CID 138661064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).