1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine

C59H35N3O — CID 168811265

IUPAC1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3nccc4c3oc3ccccc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2
InChIInChI=1S/C59H35N3O/c1-2-16-38-37(15-1)39-17-3-5-19-41(39)48-34-51(58-59-47(31-32-60-58)46-24-10-14-28-57(46)63-59)56(35-49(48)42-20-6-4-18-40(38)42)62-54-27-13-9-23-45(54)50-33-36(29-30-55(50)62)61-52-25-11-7-21-43(52)44-22-8-12-26-53(44)61/h1-35H/b39-37-,40-38-,48-41-,49-42-
InChIKeyJNMRRUILQHZELY-SZVQNPIFSA-N
MW801.95 g/mol
LogP15.82
Rot. Bonds3

About 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine

1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 168811265) has the molecular formula C59H35N3O and a molecular weight of 801.95 g/mol. Its IUPAC name is 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine
PubChem CID168811265
Molecular FormulaC59H35N3O
Molecular Weight801.95 g/mol
Exact Mass801.28
IUPAC Name1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)-c1ccccc1-c1cc(-c3nccc4c3oc3ccccc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2
InChIInChI=1S/C59H35N3O/c1-2-16-38-37(15-1)39-17-3-5-19-41(39)48-34-51(58-59-47(31-32-60-58)46-24-10-14-28-57(46)63-59)56(35-49(48)42-20-6-4-18-40(38)42)62-54-27-13-9-23-45(54)50-33-36(29-30-55(50)62)61-52-25-11-7-21-43(52)44-22-8-12-26-53(44)61/h1-35H/b39-37-,40-38-,48-41-,49-42-
InChIKeyJNMRRUILQHZELY-SZVQNPIFSA-N
XLogP15.82
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.95
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168811229
6-[2-(2-carbazol-9-ylphenyl)phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155101896
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
1-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine;6-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 157234623
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
CID 71278022
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine (CID 168811265) is 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine is c1ccc2c(c1)-c1ccccc1-c1cc(-c3nccc4c3oc3ccccc34)c(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc1-c1ccccc1-2.
What is the InChIKey of 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is JNMRRUILQHZELY-SZVQNPIFSA-N. The full InChI is InChI=1S/C59H35N3O/c1-2-16-38-37(15-1)39-17-3-5-19-41(39)48-34-51(58-59-47(31-32-60-58)46-24-10-14-28-57(46)63-59)56(35-49(48)42-20-6-4-18-40(38)42)62-54-27-13-9-23-45(54)50-33-36(29-30-55(50)62)61-52-25-11-7-21-43(52)44-22-8-12-26-53(44)61/h1-35H/b39-37-,40-38-,48-41-,49-42-.
What are the key properties of 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine?
1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 801.95 g/mol, XLogP of 15.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 168811265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).