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

C60H39N3 — CID 176831437

IUPAC12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C60H39N3/c1-4-19-40(20-5-1)42-35-36-46(47-29-18-34-55-58(47)49-27-12-16-32-53(49)62(55)51-30-14-10-25-44(51)41-21-6-2-7-22-41)57(39-42)63-54-33-17-13-28-50(54)59-56(63)38-37-48-45-26-11-15-31-52(45)61(60(48)59)43-23-8-3-9-24-43/h1-39H
InChIKeyYESBUSXSBIJBTL-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

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

12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 176831437) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID176831437
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C60H39N3/c1-4-19-40(20-5-1)42-35-36-46(47-29-18-34-55-58(47)49-27-12-16-32-53(49)62(55)51-30-14-10-25-44(51)41-21-6-2-7-22-41)57(39-42)63-54-33-17-13-28-50(54)59-56(63)38-37-48-45-26-11-15-31-52(45)61(60(48)59)43-23-8-3-9-24-43/h1-39H
InChIKeyYESBUSXSBIJBTL-UHFFFAOYSA-N
XLogP15.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302
9-deuterio-5-(2,5-diphenylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 171414486
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
3,5-diphenyl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(2,5-diphenylphenyl)-7-phenylindolo[2,3-b]carbazole;12-phenyl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 158656844
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286
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
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole (CID 176831437) is 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3cccc4c3c3ccccc3n4-c3ccccc3-c3ccccc3)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is YESBUSXSBIJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-4-19-40(20-5-1)42-35-36-46(47-29-18-34-55-58(47)49-27-12-16-32-53(49)62(55)51-30-14-10-25-44(51)41-21-6-2-7-22-41)57(39-42)63-54-33-17-13-28-50(54)59-56(63)38-37-48-45-26-11-15-31-52(45)61(60(48)59)43-23-8-3-9-24-43/h1-39H.
What are the key properties of 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole?
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 801.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 176831437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).