5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole

C52H39N3 — CID 167260203

IUPAC5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESCC(C)(C)c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc43)c2)cc1
InChIInChI=1S/C52H39N3/c1-52(2,3)36-26-24-34(25-27-36)35-14-13-17-38(30-35)54-47-22-11-7-18-40(47)43-31-39(28-29-49(43)54)55-48-23-12-9-20-42(48)45-32-44-41-19-8-10-21-46(41)53(50(44)33-51(45)55)37-15-5-4-6-16-37/h4-33H,1-3H3
InChIKeyFCTHJOTYRZTJOA-UHFFFAOYSA-N
MW705.91 g/mol
LogP13.94
Rot. Bonds4

About 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole

5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 167260203) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
PubChem CID167260203
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Name5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
SMILESCC(C)(C)c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc43)c2)cc1
InChIInChI=1S/C52H39N3/c1-52(2,3)36-26-24-34(25-27-36)35-14-13-17-38(30-35)54-47-22-11-7-18-40(47)43-31-39(28-29-49(43)54)55-48-23-12-9-20-42(48)45-32-44-41-19-8-10-21-46(41)53(50(44)33-51(45)55)37-15-5-4-6-16-37/h4-33H,1-3H3
InChIKeyFCTHJOTYRZTJOA-UHFFFAOYSA-N
XLogP13.94
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.91
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole;7-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]indolo[2,3-b]carbazole
CID 158411261
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
7-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134168520
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-di(carbazol-9-yl)-9-(3-methylphenyl)carbazole;3,6-di(carbazol-9-yl)-9-(3-phenylphenyl)carbazole
CID 161086909
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(4-phenylphenyl)carbazole;5,7-diphenylindolo[2,3-b]carbazole
CID 159682410
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
7-[9-(3-phenylphenyl)carbazol-3-yl]-5-[3-phenyl-5-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 156674054
7-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzothiolo[2,3-b]carbazole
CID 167260204
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539

Frequently Asked Questions

What is the IUPAC name of 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole (CID 167260203) is 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole is CC(C)(C)c1ccc(-c2cccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)ccc43)c2)cc1.
What is the InChIKey of 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is FCTHJOTYRZTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3/c1-52(2,3)36-26-24-34(25-27-36)35-14-13-17-38(30-35)54-47-22-11-7-18-40(47)43-31-39(28-29-49(43)54)55-48-23-12-9-20-42(48)45-32-44-41-19-8-10-21-46(41)53(50(44)33-51(45)55)37-15-5-4-6-16-37/h4-33H,1-3H3.
What are the key properties of 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole?
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 705.91 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 167260203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).