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

C54H36N4 — CID 174273797

IUPAC12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
SMILESC1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)C2C=C1
InChIInChI=1S/C54H36N4/c1-3-16-35(17-4-1)57-45-26-11-7-22-39(45)41-30-32-49-51(53(41)57)43-24-9-13-28-47(43)55(49)37-20-15-21-38(34-37)56-48-29-14-10-25-44(48)52-50(56)33-31-42-40-23-8-12-27-46(40)58(54(42)52)36-18-5-2-6-19-36/h1-34,43,47H
InChIKeyRKNBTKARAPWION-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.71
Rot. Bonds4

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

12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 174273797) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
PubChem CID174273797
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
SMILESC1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)C2C=C1
InChIInChI=1S/C54H36N4/c1-3-16-35(17-4-1)57-45-26-11-7-22-39(45)41-30-32-49-51(53(41)57)43-24-9-13-28-47(43)55(49)37-20-15-21-38(34-37)56-48-29-14-10-25-44(48)52-50(56)33-31-42-40-23-8-12-27-46(40)58(54(42)52)36-18-5-2-6-19-36/h1-34,43,47H
InChIKeyRKNBTKARAPWION-UHFFFAOYSA-N
XLogP13.71
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 70912427
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
12-phenyl-5-[3-[6-[6-[6-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]phenyl]indolo[3,2-c]carbazole
CID 170208043
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-[4-[4-[12-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-11-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917457
5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
CID 122626270
5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 123711389

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole (CID 174273797) is 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole is C1=CC2c3c(ccc4c5ccccc5n(-c5ccccc5)c34)N(c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)C2C=C1.
What is the InChIKey of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is RKNBTKARAPWION-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-16-35(17-4-1)57-45-26-11-7-22-39(45)41-30-32-49-51(53(41)57)43-24-9-13-28-47(43)55(49)37-20-15-21-38(34-37)56-48-29-14-10-25-44(48)52-50(56)33-31-42-40-23-8-12-27-46(40)58(54(42)52)36-18-5-2-6-19-36/h1-34,43,47H.
What are the key properties of 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole?
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 740.91 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 174273797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).