10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline

C50H30N4 — CID 118003229

IUPAC10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccc7cccnc7c56)ccc43)c12
InChIInChI=1S/C50H30N4/c1-3-15-41-37(13-1)39-29-35(23-25-43(39)53(41)45-17-5-9-31-19-21-33-11-7-27-51-49(33)47(31)45)36-24-26-44-40(30-36)38-14-2-4-16-42(38)54(44)46-18-6-10-32-20-22-34-12-8-28-52-50(34)48(32)46/h1-30H
InChIKeyACFIBIXSWSLYIF-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.95
Rot. Bonds3

About 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline

10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline (PubChem CID 118003229) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline.

Molecular Properties

Compound Name10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
PubChem CID118003229
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
SMILESc1cnc2c(c1)ccc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccc7cccnc7c56)ccc43)c12
InChIInChI=1S/C50H30N4/c1-3-15-41-37(13-1)39-29-35(23-25-43(39)53(41)45-17-5-9-31-19-21-33-11-7-27-51-49(33)47(31)45)36-24-26-44-40(30-36)38-14-2-4-16-42(38)54(44)46-18-6-10-32-20-22-34-12-8-28-52-50(34)48(32)46/h1-30H
InChIKeyACFIBIXSWSLYIF-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

3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
10-(8-phenylpyrimido[5,4-b]indol-5-yl)benzo[h]quinoline
CID 122427909
9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 118487737
8-[3-(9-benzo[h]quinolin-8-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118487708
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
11,12-di(quinolin-8-yl)indolo[2,3-a]carbazole
CID 58184810
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
The IUPAC name of 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline (CID 118003229) is 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline.
What is the SMILES notation for 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
The canonical SMILES for 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline is c1cnc2c(c1)ccc1cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccc7cccnc7c56)ccc43)c12.
What is the InChIKey of 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
The InChIKey is ACFIBIXSWSLYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-3-15-41-37(13-1)39-29-35(23-25-43(39)53(41)45-17-5-9-31-19-21-33-11-7-27-51-49(33)47(31)45)36-24-26-44-40(30-36)38-14-2-4-16-42(38)54(44)46-18-6-10-32-20-22-34-12-8-28-52-50(34)48(32)46/h1-30H.
What are the key properties of 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline?
10-[3-(9-benzo[h]quinolin-10-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 10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline is sourced from PubChem (CID 118003229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).