12-tert-butyl-11H-indolo[2,3-a]carbazole

C22H20N2 — CID 172511802

IUPAC12-tert-butyl-11H-indolo[2,3-a]carbazole
SMILESCC(C)(C)n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21
InChIInChI=1S/C22H20N2/c1-22(2,3)24-19-11-7-5-9-15(19)17-13-12-16-14-8-4-6-10-18(14)23-20(16)21(17)24/h4-13,23H,1-3H3
InChIKeyKKMPIOTWCCSRFP-UHFFFAOYSA-N
MW312.42 g/mol
LogP6.18
Rot. Bonds

About 12-tert-butyl-11H-indolo[2,3-a]carbazole

12-tert-butyl-11H-indolo[2,3-a]carbazole (PubChem CID 172511802) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 12-tert-butyl-11H-indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-tert-butyl-11H-indolo[2,3-a]carbazole
PubChem CID172511802
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name12-tert-butyl-11H-indolo[2,3-a]carbazole
SMILESCC(C)(C)n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21
InChIInChI=1S/C22H20N2/c1-22(2,3)24-19-11-7-5-9-15(19)17-13-12-16-14-8-4-6-10-18(14)23-20(16)21(17)24/h4-13,23H,1-3H3
InChIKeyKKMPIOTWCCSRFP-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

5-tert-butyl-7H-indolo[2,3-b]carbazole
CID 122593552
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
15-octyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 11155335
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90432306
(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 15705736
(2R,3R,4S,5S,6R)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 146683638
9H-carbazole;9-methylcarbazole
CID 142567226
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
(4,6-diphenyl-1,3,5-triazin-2-yl)-(11H-indolo[2,3-a]carbazol-12-yl)phosphane
CID 143992537
9-(9H-carbazol-1-yl)-1-propylcarbazole
CID 142681767

Frequently Asked Questions

What is the IUPAC name of 12-tert-butyl-11H-indolo[2,3-a]carbazole?
The IUPAC name of 12-tert-butyl-11H-indolo[2,3-a]carbazole (CID 172511802) is 12-tert-butyl-11H-indolo[2,3-a]carbazole.
What is the SMILES notation for 12-tert-butyl-11H-indolo[2,3-a]carbazole?
The canonical SMILES for 12-tert-butyl-11H-indolo[2,3-a]carbazole is CC(C)(C)n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21.
What is the InChIKey of 12-tert-butyl-11H-indolo[2,3-a]carbazole?
The InChIKey is KKMPIOTWCCSRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-22(2,3)24-19-11-7-5-9-15(19)17-13-12-16-14-8-4-6-10-18(14)23-20(16)21(17)24/h4-13,23H,1-3H3.
What are the key properties of 12-tert-butyl-11H-indolo[2,3-a]carbazole?
12-tert-butyl-11H-indolo[2,3-a]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 12-tert-butyl-11H-indolo[2,3-a]carbazole is sourced from PubChem (CID 172511802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).