12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole

C34H27N3 — CID 134168521

IUPAC12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
SMILESCCn1c2ccccc2c2ccc3c(c4ccccc4n3Cc3cccc4c3c3ccccc3n4C)c21
InChIInChI=1S/C34H27N3/c1-3-36-28-16-8-4-12-23(28)24-19-20-31-33(34(24)36)26-14-6-9-17-29(26)37(31)21-22-11-10-18-30-32(22)25-13-5-7-15-27(25)35(30)2/h4-20H,3,21H2,1-2H3
InChIKeyQCJIZKXGDXJUAF-UHFFFAOYSA-N
MW477.61 g/mol
LogP8.62
Rot. Bonds3

About 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole

12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole (PubChem CID 134168521) has the molecular formula C34H27N3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
PubChem CID134168521
Molecular FormulaC34H27N3
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC Name12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole
SMILESCCn1c2ccccc2c2ccc3c(c4ccccc4n3Cc3cccc4c3c3ccccc3n4C)c21
InChIInChI=1S/C34H27N3/c1-3-36-28-16-8-4-12-23(28)24-19-20-31-33(34(24)36)26-14-6-9-17-29(26)37(31)21-22-11-10-18-30-32(22)25-13-5-7-15-27(25)35(30)2/h4-20H,3,21H2,1-2H3
InChIKeyQCJIZKXGDXJUAF-UHFFFAOYSA-N
XLogP8.62
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
9-[(9-methylcarbazol-4-yl)methyl]-3,6-diphenylcarbazole
CID 129306339
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
11,12-dimethyl-1-[[3-(9-methylcarbazol-3-yl)carbazol-9-yl]methyl]indolo[2,3-a]carbazole
CID 145108998
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
2-[5-[[11-[2-cyano-5-(3-cyanophenyl)-4-(11-methylindolo[2,3-a]carbazol-12-yl)phenyl]-12-methylindolo[2,3-a]carbazol-4-yl]methyl]indolo[3,2-c]carbazol-12-yl]-4-(3-cyanophenyl)-5-(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 155377911
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
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-ethylcarbazole;9-[(5,8,9,10-tetramethylanthracen-1-yl)methyl]carbazole
CID 161201438
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
1-ethyl-9-methylcarbazole
CID 21455608

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole (CID 134168521) is 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole is CCn1c2ccccc2c2ccc3c(c4ccccc4n3Cc3cccc4c3c3ccccc3n4C)c21.
What is the InChIKey of 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole?
The InChIKey is QCJIZKXGDXJUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3/c1-3-36-28-16-8-4-12-23(28)24-19-20-31-33(34(24)36)26-14-6-9-17-29(26)37(31)21-22-11-10-18-30-32(22)25-13-5-7-15-27(25)35(30)2/h4-20H,3,21H2,1-2H3.
What are the key properties of 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole?
12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole has a molecular weight of 477.61 g/mol, XLogP of 8.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-5-[(9-methylcarbazol-4-yl)methyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 134168521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).