5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole

C44H26N4 — CID 118487867

IUPAC5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
SMILESc1cnc2c(c1)ccc1cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(ccc5cccnc54)c3)ccc12
InChIInChI=1S/C44H26N4/c1-3-11-39-35(9-1)37-25-42-38(26-41(37)47(39)31-17-19-33-29(23-31)15-13-27-7-5-21-45-43(27)33)36-10-2-4-12-40(36)48(42)32-18-20-34-30(24-32)16-14-28-8-6-22-46-44(28)34/h1-26H
InChIKeyBPGGUBMZIHEPIV-UHFFFAOYSA-N
MW610.72 g/mol
LogP11.28
Rot. Bonds2

About 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole

5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole (PubChem CID 118487867) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
PubChem CID118487867
Molecular FormulaC44H26N4
Molecular Weight610.72 g/mol
Exact Mass610.22
IUPAC Name5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
SMILESc1cnc2c(c1)ccc1cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(ccc5cccnc54)c3)ccc12
InChIInChI=1S/C44H26N4/c1-3-11-39-35(9-1)37-25-42-38(26-41(37)47(39)31-17-19-33-29(23-31)15-13-27-7-5-21-45-43(27)33)36-10-2-4-12-40(36)48(42)32-18-20-34-30(24-32)16-14-28-8-6-22-46-44(28)34/h1-26H
InChIKeyBPGGUBMZIHEPIV-UHFFFAOYSA-N
XLogP11.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708
7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
CID 134168535
5-[2-(9-isoquinolin-6-ylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinoline
CID 134387042
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
9-[3-(9-benzo[h]quinolin-9-ylcarbazol-3-yl)carbazol-9-yl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[h]quinoline
CID 118490628
10,17-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27),24-tridecaene
CID 134428301
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445957

Frequently Asked Questions

What is the IUPAC name of 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole (CID 118487867) is 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole is c1cnc2c(c1)ccc1cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(ccc5cccnc54)c3)ccc12.
What is the InChIKey of 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole?
The InChIKey is BPGGUBMZIHEPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-3-11-39-35(9-1)37-25-42-38(26-41(37)47(39)31-17-19-33-29(23-31)15-13-27-7-5-21-45-43(27)33)36-10-2-4-12-40(36)48(42)32-18-20-34-30(24-32)16-14-28-8-6-22-46-44(28)34/h1-26H.
What are the key properties of 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole?
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole has a molecular weight of 610.72 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 118487867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).