8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline

C50H30N4 — CID 118487708

IUPAC8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7cccnc76)c5)ccc43)ccc12
InChIInChI=1S/C50H30N4/c1-3-11-45-41(9-1)43-29-33(17-23-47(43)53(45)37-19-21-39-35(27-37)15-13-31-7-5-25-51-49(31)39)34-18-24-48-44(30-34)42-10-2-4-12-46(42)54(48)38-20-22-40-36(28-38)16-14-32-8-6-26-52-50(32)40/h1-30H
InChIKeyROXOFHLTESLKGV-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.95
Rot. Bonds3

About 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline

8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline (PubChem CID 118487708) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline.

Molecular Properties

Compound Name8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
PubChem CID118487708
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7cccnc76)c5)ccc43)ccc12
InChIInChI=1S/C50H30N4/c1-3-11-45-41(9-1)43-29-33(17-23-47(43)53(45)37-19-21-39-35(27-37)15-13-31-7-5-25-51-49(31)39)34-18-24-48-44(30-34)42-10-2-4-12-46(42)54(48)38-20-22-40-36(28-38)16-14-32-8-6-26-52-50(32)40/h1-30H
InChIKeyROXOFHLTESLKGV-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.95
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

5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
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
3-[9-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487701
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
5-[2-(9-isoquinolin-6-ylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinoline
CID 134387042
5-benzo[h]quinolin-8-yl-11,11-dimethylindeno[1,2-b]carbazole
CID 118488507
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724

Frequently Asked Questions

What is the IUPAC name of 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
The IUPAC name of 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline (CID 118487708) is 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline.
What is the SMILES notation for 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
The canonical SMILES for 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline is c1cnc2c(c1)ccc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(ccc7cccnc76)c5)ccc43)ccc12.
What is the InChIKey of 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
The InChIKey is ROXOFHLTESLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-3-11-45-41(9-1)43-29-33(17-23-47(43)53(45)37-19-21-39-35(27-37)15-13-31-7-5-25-51-49(31)39)34-18-24-48-44(30-34)42-10-2-4-12-46(42)54(48)38-20-22-40-36(28-38)16-14-32-8-6-26-52-50(32)40/h1-30H.
What are the key properties of 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline has a molecular weight of 686.82 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline is sourced from PubChem (CID 118487708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).