12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole

C116H104N8 — CID 165083643

IUPAC12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole
SMILESCCn1c2ccccc2c2c1ccc1c3ccccc3n(Cc3cc(C)cc(C)c3)c12.CCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3Cc1cc(C)cc(C)c1.CCn1c2ccccc2c2cc3c4ccccc4n(Cc4cc(C)cc(C)c4)c3cc21.CCn1c2ccccc2c2ccc3c4ccccc4n(Cc4cc(C)cc(C)c4)c3c21
InChIInChI=1S/4C29H26N2/c1-4-30-26-11-7-5-9-22(26)24-17-29-25(16-28(24)30)23-10-6-8-12-27(23)31(29)18-21-14-19(2)13-20(3)15-21;1-4-30-26-11-7-5-9-22(26)24-16-25-23-10-6-8-12-27(23)31(29(25)17-28(24)30)18-21-14-19(2)13-20(3)15-21;1-4-30-26-12-8-6-10-24(26)28-27(30)14-13-23-22-9-5-7-11-25(22)31(29(23)28)18-21-16-19(2)15-20(3)17-21;1-4-30-26-11-7-5-9-22(26)24-13-14-25-23-10-6-8-12-27(23)31(29(25)28(24)30)18-21-16-19(2)15-20(3)17-21/h4*5-17H,4,18H2,1-3H3
InChIKeyVNPHQURRUUPAHT-UHFFFAOYSA-N
MW1610.16 g/mol
LogP30.35
Rot. Bonds12

About 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole

12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole (PubChem CID 165083643) has the molecular formula C116H104N8 and a molecular weight of 1610.16 g/mol. Its IUPAC name is 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole
PubChem CID165083643
Molecular FormulaC116H104N8
Molecular Weight1610.16 g/mol
Exact Mass1608.84
IUPAC Name12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole
SMILESCCn1c2ccccc2c2c1ccc1c3ccccc3n(Cc3cc(C)cc(C)c3)c12.CCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3Cc1cc(C)cc(C)c1.CCn1c2ccccc2c2cc3c4ccccc4n(Cc4cc(C)cc(C)c4)c3cc21.CCn1c2ccccc2c2ccc3c4ccccc4n(Cc4cc(C)cc(C)c4)c3c21
InChIInChI=1S/4C29H26N2/c1-4-30-26-11-7-5-9-22(26)24-17-29-25(16-28(24)30)23-10-6-8-12-27(23)31(29)18-21-14-19(2)13-20(3)15-21;1-4-30-26-11-7-5-9-22(26)24-16-25-23-10-6-8-12-27(23)31(29(25)17-28(24)30)18-21-14-19(2)13-20(3)15-21;1-4-30-26-12-8-6-10-24(26)28-27(30)14-13-23-22-9-5-7-11-25(22)31(29(23)28)18-21-16-19(2)15-20(3)17-21;1-4-30-26-11-7-5-9-22(26)24-13-14-25-23-10-6-8-12-27(23)31(29(25)28(24)30)18-21-16-19(2)15-20(3)17-21/h4*5-17H,4,18H2,1-3H3
InChIKeyVNPHQURRUUPAHT-UHFFFAOYSA-N
XLogP30.35
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001610.16
LogP ≤ 530.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole with MolForge

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Related Compounds

9-ethyl-14-methyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-ethyl-11-methylindolo[2,3-a]carbazole;5-ethyl-7-methylindolo[2,3-b]carbazole;11-ethyl-5-methylindolo[3,2-b]carbazole;5-ethyl-12-methylindolo[3,2-c]carbazole;12-ethyl-5-methylindolo[3,2-c]carbazole
CID 157390176
12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
CID 134168521
9-benzyl-25-ethyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 118667433
9-ethyl-2-methylcarbazole
CID 19788789
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
11-ethyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 144868483
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
23-ethyl-N,N-diphenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417765

Frequently Asked Questions

What is the IUPAC name of 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole?
The IUPAC name of 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole (CID 165083643) is 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole is CCn1c2ccccc2c2c1ccc1c3ccccc3n(Cc3cc(C)cc(C)c3)c12.CCn1c2ccccc2c2cc3c(cc21)c1ccccc1n3Cc1cc(C)cc(C)c1.CCn1c2ccccc2c2cc3c4ccccc4n(Cc4cc(C)cc(C)c4)c3cc21.CCn1c2ccccc2c2ccc3c4ccccc4n(Cc4cc(C)cc(C)c4)c3c21.
What is the InChIKey of 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole?
The InChIKey is VNPHQURRUUPAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C29H26N2/c1-4-30-26-11-7-5-9-22(26)24-17-29-25(16-28(24)30)23-10-6-8-12-27(23)31(29)18-21-14-19(2)13-20(3)15-21;1-4-30-26-11-7-5-9-22(26)24-16-25-23-10-6-8-12-27(23)31(29(25)17-28(24)30)18-21-14-19(2)13-20(3)15-21;1-4-30-26-12-8-6-10-24(26)28-27(30)14-13-23-22-9-5-7-11-25(22)31(29(23)28)18-21-16-19(2)15-20(3)17-21;1-4-30-26-11-7-5-9-22(26)24-13-14-25-23-10-6-8-12-27(23)31(29(25)28(24)30)18-21-16-19(2)15-20(3)17-21/h4*5-17H,4,18H2,1-3H3.
What are the key properties of 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole?
12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole has a molecular weight of 1610.16 g/mol, XLogP of 30.35, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(3,5-dimethylphenyl)methyl]-11-ethylindolo[2,3-a]carbazole;5-[(3,5-dimethylphenyl)methyl]-7-ethylindolo[2,3-b]carbazole;11-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-b]carbazole;12-[(3,5-dimethylphenyl)methyl]-5-ethylindolo[3,2-c]carbazole is sourced from PubChem (CID 165083643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).