5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole

C54H36N4 — CID 122626270

IUPAC5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
SMILESC1=CC2c3ccc4c(c3N(c3ccccc3)C2C=C1)c1ccccc1n4-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H36N4/c1-2-16-35(17-3-1)58-50-28-14-8-22-43(50)44-30-31-52-53(54(44)58)45-23-9-15-29-51(45)57(52)38-33-36(55-46-24-10-4-18-39(46)40-19-5-11-25-47(40)55)32-37(34-38)56-48-26-12-6-20-41(48)42-21-7-13-27-49(42)56/h1-34,43,50H
InChIKeyXUYHXRRPIUYKKU-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.71
Rot. Bonds4

About 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole

5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole (PubChem CID 122626270) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
PubChem CID122626270
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
SMILESC1=CC2c3ccc4c(c3N(c3ccccc3)C2C=C1)c1ccccc1n4-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H36N4/c1-2-16-35(17-3-1)58-50-28-14-8-22-43(50)44-30-31-52-53(54(44)58)45-23-9-15-29-51(45)57(52)38-33-36(55-46-24-10-4-18-39(46)40-19-5-11-25-47(40)55)32-37(34-38)56-48-26-12-6-20-41(48)42-21-7-13-27-49(42)56/h1-34,43,50H
InChIKeyXUYHXRRPIUYKKU-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
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 88950411
9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole?
The IUPAC name of 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole (CID 122626270) is 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole is C1=CC2c3ccc4c(c3N(c3ccccc3)C2C=C1)c1ccccc1n4-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole?
The InChIKey is XUYHXRRPIUYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-2-16-35(17-3-1)58-50-28-14-8-22-43(50)44-30-31-52-53(54(44)58)45-23-9-15-29-51(45)57(52)38-33-36(55-46-24-10-4-18-39(46)40-19-5-11-25-47(40)55)32-37(34-38)56-48-26-12-6-20-41(48)42-21-7-13-27-49(42)56/h1-34,43,50H.
What are the key properties of 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole?
5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[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 5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 122626270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).