6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

C42H27N3O — CID 155029347

IUPAC6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(Cc2ccc3oc4c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C42H27N3O/c1-2-12-27(13-3-1)24-28-22-23-39-33(25-28)34-26-40(44-35-18-8-4-14-29(35)30-15-5-9-19-36(30)44)43-42(41(34)46-39)45-37-20-10-6-16-31(37)32-17-7-11-21-38(32)45/h1-23,25-26H,24H2
InChIKeyVQFTYHOCJPNLKI-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.77
Rot. Bonds4

About 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 155029347) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID155029347
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(Cc2ccc3oc4c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1
InChIInChI=1S/C42H27N3O/c1-2-12-27(13-3-1)24-28-22-23-39-33(25-28)34-26-40(44-35-18-8-4-14-29(35)30-15-5-9-19-36(30)44)43-42(41(34)46-39)45-37-20-10-6-16-31(37)32-17-7-11-21-38(32)45/h1-23,25-26H,24H2
InChIKeyVQFTYHOCJPNLKI-UHFFFAOYSA-N
XLogP10.77
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
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
9-(18-benzyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
CID 59147032
2-benzyl-6-methyldibenzofuran
CID 155004540
9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147542
2-benzylxanthene-9-thione
CID 88726523
3-benzyl-6-(6-benzyl-9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;3-benzyl-6-(6-benzyl-9-dibenzofuran-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 162234095
3-carbazol-9-yl-1-(3-carbazol-9-yl-4a,9a-dihydrocarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 70875250
4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
CID 118232289
3-benzyl-9-(4-fluorophenyl)carbazole
CID 118374782
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170529283

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (CID 155029347) is 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(Cc2ccc3oc4c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc1.
What is the InChIKey of 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is VQFTYHOCJPNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-2-12-27(13-3-1)24-28-22-23-39-33(25-28)34-26-40(44-35-18-8-4-14-29(35)30-15-5-9-19-36(30)44)43-42(41(34)46-39)45-37-20-10-6-16-31(37)32-17-7-11-21-38(32)45/h1-23,25-26H,24H2.
What are the key properties of 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 589.70 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3-di(carbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 155029347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).