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

C54H36N4 — CID 170208199

IUPAC7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
SMILESC1=CC2c3c(ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)c34)N(c3ccccc3)C2C=C1
InChIInChI=1S/C54H36N4/c1-3-16-35(17-4-1)55-49-29-14-10-25-43(49)53-50(55)31-30-42-39-22-7-13-28-48(39)58(54(42)53)38-21-15-20-37(32-38)57-47-27-12-9-24-41(47)45-33-44-40-23-8-11-26-46(40)56(51(44)34-52(45)57)36-18-5-2-6-19-36/h1-34,43,49H
InChIKeyLOWGNTYNOLTRNR-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.71
Rot. Bonds4

About 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole

7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole (PubChem CID 170208199) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
PubChem CID170208199
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
SMILESC1=CC2c3c(ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)c34)N(c3ccccc3)C2C=C1
InChIInChI=1S/C54H36N4/c1-3-16-35(17-4-1)55-49-29-14-10-25-43(49)53-50(55)31-30-42-39-22-7-13-28-48(39)58(54(42)53)38-21-15-20-37(32-38)57-47-27-12-9-24-41(47)45-33-44-40-23-8-11-26-46(40)56(51(44)34-52(45)57)36-18-5-2-6-19-36/h1-34,43,49H
InChIKeyLOWGNTYNOLTRNR-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)phenyl]indolo[3,2-c]carbazole
CID 174273797
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
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
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
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazole
CID 134271208
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-2-yl]carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 165068663
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
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole (CID 170208199) is 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole is C1=CC2c3c(ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)c34)N(c3ccccc3)C2C=C1.
What is the InChIKey of 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
The InChIKey is LOWGNTYNOLTRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-16-35(17-4-1)55-49-29-14-10-25-43(49)53-50(55)31-30-42-39-22-7-13-28-48(39)58(54(42)53)38-21-15-20-37(32-38)57-47-27-12-9-24-41(47)45-33-44-40-23-8-11-26-46(40)56(51(44)34-52(45)57)36-18-5-2-6-19-36/h1-34,43,49H.
What are the key properties of 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole?
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]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 7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 170208199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).