5-tert-butyl-7H-indolo[2,3-b]carbazole

C22H20N2 — CID 122593552

IUPAC5-tert-butyl-7H-indolo[2,3-b]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc3c(cc21)[nH]c1ccccc13
InChIInChI=1S/C22H20N2/c1-22(2,3)24-20-11-7-5-9-15(20)17-12-16-14-8-4-6-10-18(14)23-19(16)13-21(17)24/h4-13,23H,1-3H3
InChIKeyZDGUPGACKXGMFW-UHFFFAOYSA-N
MW312.42 g/mol
LogP6.18
Rot. Bonds

About 5-tert-butyl-7H-indolo[2,3-b]carbazole

5-tert-butyl-7H-indolo[2,3-b]carbazole (PubChem CID 122593552) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-tert-butyl-7H-indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-tert-butyl-7H-indolo[2,3-b]carbazole
PubChem CID122593552
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name5-tert-butyl-7H-indolo[2,3-b]carbazole
SMILESCC(C)(C)n1c2ccccc2c2cc3c(cc21)[nH]c1ccccc13
InChIInChI=1S/C22H20N2/c1-22(2,3)24-20-11-7-5-9-15(20)17-12-16-14-8-4-6-10-18(14)23-19(16)13-21(17)24/h4-13,23H,1-3H3
InChIKeyZDGUPGACKXGMFW-UHFFFAOYSA-N
XLogP6.18
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9-tert-butyl-3,6-bis(9H-carbazol-3-yl)carbazole;2-methylpropane
CID 144867981
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
5-(4-fluorophenyl)-7H-indolo[2,3-b]carbazole
CID 147994164
5-(4-tert-butyl-2-pyridinyl)-7H-indolo[2,3-b]carbazole
CID 164823619
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
9H-carbazole;9-methylcarbazole
CID 142567226
11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
9-tert-butyl-2-fluorocarbazole
CID 177283340
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834
1,5,28-triazaundecacyclo[19.17.3.02,14.04,12.06,11.015,39.018,40.022,27.028,41.029,38.031,36]hentetraconta-2(14),3,6,8,10,12,15(39),16,18(40),19,21(41),22,24,26,29,31,33,35,37-nonadecaene
CID 154967815
11-phenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933239
11,20-diazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(28),2,4(12),5,7,9,13,15,17,19(27),21,23,25-tridecaene
CID 102495063

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7H-indolo[2,3-b]carbazole?
The IUPAC name of 5-tert-butyl-7H-indolo[2,3-b]carbazole (CID 122593552) is 5-tert-butyl-7H-indolo[2,3-b]carbazole.
What is the SMILES notation for 5-tert-butyl-7H-indolo[2,3-b]carbazole?
The canonical SMILES for 5-tert-butyl-7H-indolo[2,3-b]carbazole is CC(C)(C)n1c2ccccc2c2cc3c(cc21)[nH]c1ccccc13.
What is the InChIKey of 5-tert-butyl-7H-indolo[2,3-b]carbazole?
The InChIKey is ZDGUPGACKXGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-22(2,3)24-20-11-7-5-9-15(20)17-12-16-14-8-4-6-10-18(14)23-19(16)13-21(17)24/h4-13,23H,1-3H3.
What are the key properties of 5-tert-butyl-7H-indolo[2,3-b]carbazole?
5-tert-butyl-7H-indolo[2,3-b]carbazole has a molecular weight of 312.42 g/mol, XLogP of 6.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7H-indolo[2,3-b]carbazole is sourced from PubChem (CID 122593552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).