5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole

C64H47N3 — CID 167259633

IUPAC5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)c56)ccc43)cc2)cc1
InChIInChI=1S/C64H47N3/c1-64(2,3)48-31-27-43(28-32-48)44-29-33-49(34-30-44)65-57-24-10-8-22-53(57)56-41-51(35-37-60(56)65)66-59-26-12-9-23-55(59)62-61(66)38-36-54-52-21-7-11-25-58(52)67(63(54)62)50-20-14-19-47(40-50)46-18-13-17-45(39-46)42-15-5-4-6-16-42/h4-41H,1-3H3
InChIKeyUTUCNWQMWFVWMI-UHFFFAOYSA-N
MW858.10 g/mol
LogP17.28
Rot. Bonds6

About 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole

5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 167259633) has the molecular formula C64H47N3 and a molecular weight of 858.10 g/mol. Its IUPAC name is 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID167259633
Molecular FormulaC64H47N3
Molecular Weight858.10 g/mol
Exact Mass857.38
IUPAC Name5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)c56)ccc43)cc2)cc1
InChIInChI=1S/C64H47N3/c1-64(2,3)48-31-27-43(28-32-48)44-29-33-49(34-30-44)65-57-24-10-8-22-53(57)56-41-51(35-37-60(56)65)66-59-26-12-9-23-55(59)62-61(66)38-36-54-52-21-7-11-25-58(52)67(63(54)62)50-20-14-19-47(40-50)46-18-13-17-45(39-46)42-15-5-4-6-16-42/h4-41H,1-3H3
InChIKeyUTUCNWQMWFVWMI-UHFFFAOYSA-N
XLogP17.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.10
LogP ≤ 517.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole (CID 167259633) is 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole is CC(C)(C)c1ccc(-c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)c56)ccc43)cc2)cc1.
What is the InChIKey of 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is UTUCNWQMWFVWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3/c1-64(2,3)48-31-27-43(28-32-48)44-29-33-49(34-30-44)65-57-24-10-8-22-53(57)56-41-51(35-37-60(56)65)66-59-26-12-9-23-55(59)62-61(66)38-36-54-52-21-7-11-25-58(52)67(63(54)62)50-20-14-19-47(40-50)46-18-13-17-45(39-46)42-15-5-4-6-16-42/h4-41H,1-3H3.
What are the key properties of 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole?
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 858.10 g/mol, XLogP of 17.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 167259633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).