5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole

C61H49N5 — CID 161420841

IUPAC5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole
SMILESCC1c2ccccc2-c2cc3c4ccccc4n(C)c3cc21.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3C.Cn1c2ccccc2c2ccc3c4ccccc4n(C)c3c21
InChIInChI=1S/C21H17N.2C20H16N2/c1-13-14-7-3-4-8-15(14)18-11-19-16-9-5-6-10-20(16)22(2)21(19)12-17(13)18;1-21-17-9-5-3-7-13(17)15-12-20-16(11-19(15)21)14-8-4-6-10-18(14)22(20)2;1-21-17-9-5-3-7-13(17)15-11-12-16-14-8-4-6-10-18(14)22(2)20(16)19(15)21/h3-13H,1-2H3;2*3-12H,1-2H3
InChIKeyVWSGBIDZABNRJI-UHFFFAOYSA-N
MW852.10 g/mol
LogP15.42
Rot. Bonds

About 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole

5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole (PubChem CID 161420841) has the molecular formula C61H49N5 and a molecular weight of 852.10 g/mol. Its IUPAC name is 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole
PubChem CID161420841
Molecular FormulaC61H49N5
Molecular Weight852.10 g/mol
Exact Mass851.40
IUPAC Name5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole
SMILESCC1c2ccccc2-c2cc3c4ccccc4n(C)c3cc21.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3C.Cn1c2ccccc2c2ccc3c4ccccc4n(C)c3c21
InChIInChI=1S/C21H17N.2C20H16N2/c1-13-14-7-3-4-8-15(14)18-11-19-16-9-5-6-10-20(16)22(2)21(19)12-17(13)18;1-21-17-9-5-3-7-13(17)15-12-20-16(11-19(15)21)14-8-4-6-10-18(14)22(20)2;1-21-17-9-5-3-7-13(17)15-11-12-16-14-8-4-6-10-18(14)22(2)20(16)19(15)21/h3-13H,1-2H3;2*3-12H,1-2H3
InChIKeyVWSGBIDZABNRJI-UHFFFAOYSA-N
XLogP15.42
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.10
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9H-fluoren-9-yl)-9-methylcarbazole
CID 177069995
9,31-dimethyl-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-dimethyl-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene
CID 165036844
5,11-dimethylbenzo[a]carbazole
CID 58410472
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
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
ethane;bis(9-methylcarbazole)
CID 159710949
5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
CID 18424916
11-methyl-5-pyridin-2-ylbenzo[a]carbazole
CID 58410525
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
5-(10H-anthracen-10-id-9-yl)-11-methylbenzo[a]carbazole;yttrium
CID 58410433
ethane;9-methylcarbazole;triphenylene
CID 142356751
5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
CID 134194410

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole?
The IUPAC name of 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole (CID 161420841) is 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole?
The canonical SMILES for 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole is CC1c2ccccc2-c2cc3c4ccccc4n(C)c3cc21.Cn1c2ccccc2c2cc3c(cc21)c1ccccc1n3C.Cn1c2ccccc2c2ccc3c4ccccc4n(C)c3c21.
What is the InChIKey of 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole?
The InChIKey is VWSGBIDZABNRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N.2C20H16N2/c1-13-14-7-3-4-8-15(14)18-11-19-16-9-5-6-10-20(16)22(2)21(19)12-17(13)18;1-21-17-9-5-3-7-13(17)15-12-20-16(11-19(15)21)14-8-4-6-10-18(14)22(20)2;1-21-17-9-5-3-7-13(17)15-11-12-16-14-8-4-6-10-18(14)22(2)20(16)19(15)21/h3-13H,1-2H3;2*3-12H,1-2H3.
What are the key properties of 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole?
5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole has a molecular weight of 852.10 g/mol, XLogP of 15.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-7H-indeno[2,1-b]carbazole;11,12-dimethylindolo[2,3-a]carbazole;5,11-dimethylindolo[3,2-b]carbazole is sourced from PubChem (CID 161420841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).