9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole

C42H34N2 — CID 144848681

IUPAC9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole
SMILESCC(C)(C)c1c(-c2ccccc2)c2ccccc2n1-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H34N2/c1-42(2,3)41-40(30-18-8-5-9-19-30)36-22-12-15-25-39(36)44(41)33-27-31(29-16-6-4-7-17-29)26-32(28-33)43-37-23-13-10-20-34(37)35-21-11-14-24-38(35)43/h4-28H,1-3H3
InChIKeyBPWDYVRHZBXGPZ-UHFFFAOYSA-N
MW566.75 g/mol
LogP11.36
Rot. Bonds4

About 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole

9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole (PubChem CID 144848681) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole
PubChem CID144848681
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole
SMILESCC(C)(C)c1c(-c2ccccc2)c2ccccc2n1-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H34N2/c1-42(2,3)41-40(30-18-8-5-9-19-30)36-22-12-15-25-39(36)44(41)33-27-31(29-16-6-4-7-17-29)26-32(28-33)43-37-23-13-10-20-34(37)35-21-11-14-24-38(35)43/h4-28H,1-3H3
InChIKeyBPWDYVRHZBXGPZ-UHFFFAOYSA-N
XLogP11.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569
ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane
CID 59399853
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole?
The IUPAC name of 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole (CID 144848681) is 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole is CC(C)(C)c1c(-c2ccccc2)c2ccccc2n1-c1cc(-c2ccccc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole?
The InChIKey is BPWDYVRHZBXGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2/c1-42(2,3)41-40(30-18-8-5-9-19-30)36-22-12-15-25-39(36)44(41)33-27-31(29-16-6-4-7-17-29)26-32(28-33)43-37-23-13-10-20-34(37)35-21-11-14-24-38(35)43/h4-28H,1-3H3.
What are the key properties of 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole?
9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole has a molecular weight of 566.75 g/mol, XLogP of 11.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-tert-butyl-3-phenylindol-1-yl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 144848681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).