5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole

C54H36N4 — CID 170205828

IUPAC5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
SMILESC1=CC2c3cc4c(cc3N(c3cccc(-n5c6ccccc6c6ccccc65)c3)C2C=C1)c1ccccc1n4-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H36N4/c1-7-25-47-39(19-1)40-20-2-8-26-48(40)55(47)35-15-13-17-37(31-35)57-51-29-11-5-23-43(51)45-34-54-46(33-53(45)57)44-24-6-12-30-52(44)58(54)38-18-14-16-36(32-38)56-49-27-9-3-21-41(49)42-22-4-10-28-50(42)56/h1-34,43,51H
InChIKeyHWMFWPIIMXYYOX-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.71
Rot. Bonds4

About 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole

5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole (PubChem CID 170205828) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
PubChem CID170205828
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
SMILESC1=CC2c3cc4c(cc3N(c3cccc(-n5c6ccccc6c6ccccc65)c3)C2C=C1)c1ccccc1n4-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C54H36N4/c1-7-25-47-39(19-1)40-20-2-8-26-48(40)55(47)35-15-13-17-37(31-35)57-51-29-11-5-23-43(51)45-34-54-46(33-53(45)57)44-24-6-12-30-52(44)58(54)38-18-14-16-36(32-38)56-49-27-9-3-21-41(49)42-22-4-10-28-50(42)56/h1-34,43,51H
InChIKeyHWMFWPIIMXYYOX-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

3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
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
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
5-[3,5-di(carbazol-9-yl)phenyl]-12-phenyl-7b,11a-dihydroindolo[3,2-c]carbazole
CID 122626270
5-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-11-[3-(4-phenylphenyl)phenyl]-4a,12b-dihydroindolo[3,2-b]carbazole
CID 163882271

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole (CID 170205828) is 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole is C1=CC2c3cc4c(cc3N(c3cccc(-n5c6ccccc6c6ccccc65)c3)C2C=C1)c1ccccc1n4-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole?
The InChIKey is HWMFWPIIMXYYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-7-25-47-39(19-1)40-20-2-8-26-48(40)55(47)35-15-13-17-37(31-35)57-51-29-11-5-23-43(51)45-34-54-46(33-53(45)57)44-24-6-12-30-52(44)58(54)38-18-14-16-36(32-38)56-49-27-9-3-21-41(49)42-22-4-10-28-50(42)56/h1-34,43,51H.
What are the key properties of 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole?
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-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 5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 170205828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).