3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole

C41H32N2 — CID 58489632

IUPAC3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c3c1C2
InChIInChI=1S/C41H32N2/c1-41(2,3)27-18-17-26-23-36-30(34(26)24-27)20-21-33-35-25-29(19-22-39(35)43(40(33)36)28-11-5-4-6-12-28)42-37-15-9-7-13-31(37)32-14-8-10-16-38(32)42/h4-22,24-25H,23H2,1-3H3
InChIKeyVQQRBCMYCWHKKW-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.75
Rot. Bonds2

About 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole

3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole (PubChem CID 58489632) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole.

Molecular Properties

Compound Name3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
PubChem CID58489632
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
SMILESCC(C)(C)c1ccc2c(c1)-c1ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c3c1C2
InChIInChI=1S/C41H32N2/c1-41(2,3)27-18-17-26-23-36-30(34(26)24-27)20-21-33-35-25-29(19-22-39(35)43(40(33)36)28-11-5-4-6-12-28)42-37-15-9-7-13-31(37)32-14-8-10-16-38(32)42/h4-22,24-25H,23H2,1-3H3
InChIKeyVQQRBCMYCWHKKW-UHFFFAOYSA-N
XLogP10.75
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-tert-butyl-5-phenyl-7H-indeno[2,1-b]carbazole
CID 58489669
3-carbazol-9-yl-11-phenyl-8-(9-phenylfluoren-9-yl)-12H-indeno[2,1-a]carbazole
CID 58489697
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
2-tert-butyl-9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489622
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
9-[4-(6-tert-butyl-9H-fluoren-3-yl)phenyl]carbazole
CID 157409455
bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
CID 58489573
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
12-(3-tert-butylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 170268517
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
11-phenyl-12-(8-triphenylen-2-yl-9H-fluoren-3-yl)indolo[2,3-a]carbazole
CID 130409428

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole?
The IUPAC name of 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole (CID 58489632) is 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole.
What is the SMILES notation for 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole?
The canonical SMILES for 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole is CC(C)(C)c1ccc2c(c1)-c1ccc3c4cc(-n5c6ccccc6c6ccccc65)ccc4n(-c4ccccc4)c3c1C2.
What is the InChIKey of 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole?
The InChIKey is VQQRBCMYCWHKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-41(2,3)27-18-17-26-23-36-30(34(26)24-27)20-21-33-35-25-29(19-22-39(35)43(40(33)36)28-11-5-4-6-12-28)42-37-15-9-7-13-31(37)32-14-8-10-16-38(32)42/h4-22,24-25H,23H2,1-3H3.
What are the key properties of 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole?
3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole has a molecular weight of 552.72 g/mol, XLogP of 10.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole is sourced from PubChem (CID 58489632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).