12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole

C34H28N2 — CID 170268517

IUPAC12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESCC(C)(C)c1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1
InChIInChI=1S/C34H28N2/c1-34(2,3)23-12-11-15-25(22-23)36-31-19-10-8-17-27(31)29-21-20-28-26-16-7-9-18-30(26)35(32(28)33(29)36)24-13-5-4-6-14-24/h4-22H,1-3H3
InChIKeyLQARUOCZORHJHC-UHFFFAOYSA-N
MW464.61 g/mol
LogP9.18
Rot. Bonds2

About 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole

12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole (PubChem CID 170268517) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
PubChem CID170268517
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
SMILESCC(C)(C)c1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1
InChIInChI=1S/C34H28N2/c1-34(2,3)23-12-11-15-25(22-23)36-31-19-10-8-17-27(31)29-21-20-28-26-16-7-9-18-30(26)35(32(28)33(29)36)24-13-5-4-6-14-24/h4-22H,1-3H3
InChIKeyLQARUOCZORHJHC-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

9-tert-butylcarbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole
CID 160742117
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
15-(4-tert-butylphenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965488
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
9-(3-tert-butylphenyl)carbazole-2-carbonitrile
CID 164818616
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025

Frequently Asked Questions

What is the IUPAC name of 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole (CID 170268517) is 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole is CC(C)(C)c1cccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.
What is the InChIKey of 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole?
The InChIKey is LQARUOCZORHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-34(2,3)23-12-11-15-25(22-23)36-31-19-10-8-17-27(31)29-21-20-28-26-16-7-9-18-30(26)35(32(28)33(29)36)24-13-5-4-6-14-24/h4-22H,1-3H3.
What are the key properties of 12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole?
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]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-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 170268517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).