12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole

C34H28N2 — CID 146579181

IUPAC12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
SMILESCC(C)(C)c1c2c3ccccc3n(-c3ccccc3)c2cc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C34H28N2/c1-34(2,3)33-31-25-18-10-12-20-27(25)35(23-14-6-4-7-15-23)29(31)22-30-32(33)26-19-11-13-21-28(26)36(30)24-16-8-5-9-17-24/h4-22H,1-3H3
InChIKeyFHAMNSPMCJNIIK-UHFFFAOYSA-N
MW464.61 g/mol
LogP9.18
Rot. Bonds2

About 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole

12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole (PubChem CID 146579181) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
PubChem CID146579181
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
SMILESCC(C)(C)c1c2c3ccccc3n(-c3ccccc3)c2cc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C34H28N2/c1-34(2,3)33-31-25-18-10-12-20-27(25)35(23-14-6-4-7-15-23)29(31)22-30-32(33)26-19-11-13-21-28(26)36(30)24-16-8-5-9-17-24/h4-22H,1-3H3
InChIKeyFHAMNSPMCJNIIK-UHFFFAOYSA-N
XLogP9.18
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-ditert-butyl-9-phenylcarbazole
CID 146578967
5-(4-tert-butylphenyl)-7-phenylbenzo[c]carbazole
CID 70836954
18,36-ditert-butyl-8,26-diphenyl-1,8,19,26-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.07,15.09,14.025,33.027,32.034,37.019,38]octatriaconta-2(22),3,5,7(15),9,11,13,16(38),17,20,23,25(33),27,29,31,34(37),35-heptadecaene
CID 162480356
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
CID 163799671
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
1,4-ditert-butyl-9-phenylcarbazole
CID 169010323
7-phenyl-12-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 146368712
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
N-(4-tert-butylphenyl)-9-phenyl-N-propan-2-ylcarbazol-3-amine
CID 166947089
5-tert-butyl-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 129035048

Frequently Asked Questions

What is the IUPAC name of 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole?
The IUPAC name of 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole (CID 146579181) is 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole.
What is the SMILES notation for 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole?
The canonical SMILES for 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole is CC(C)(C)c1c2c3ccccc3n(-c3ccccc3)c2cc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole?
The InChIKey is FHAMNSPMCJNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-34(2,3)33-31-25-18-10-12-20-27(25)35(23-14-6-4-7-15-23)29(31)22-30-32(33)26-19-11-13-21-28(26)36(30)24-16-8-5-9-17-24/h4-22H,1-3H3.
What are the key properties of 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole?
12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole has a molecular weight of 464.61 g/mol, XLogP of 9.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole is sourced from PubChem (CID 146579181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).