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

C34H21N3O — CID 155101896

IUPAC6-[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
SMILESc1ccc(-c2nccc3c2oc2cnccc23)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C34H21N3O/c1-2-13-27(33-34-28(18-20-36-33)26-17-19-35-21-32(26)38-34)22(9-1)23-10-3-6-14-29(23)37-30-15-7-4-11-24(30)25-12-5-8-16-31(25)37/h1-21H
InChIKeyWMXMFLLPNPAEIX-UHFFFAOYSA-N
MW487.56 g/mol
LogP8.81
Rot. Bonds3

About 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

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 (PubChem CID 155101896) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID155101896
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name6-[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
SMILESc1ccc(-c2nccc3c2oc2cnccc23)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C34H21N3O/c1-2-13-27(33-34-28(18-20-36-33)26-17-19-35-21-32(26)38-34)22(9-1)23-10-3-6-14-29(23)37-30-15-7-4-11-24(30)25-12-5-8-16-31(25)37/h1-21H
InChIKeyWMXMFLLPNPAEIX-UHFFFAOYSA-N
XLogP8.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 155102001
1-[3-(3-carbazol-9-ylcarbazol-9-yl)tetraphenylen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168811265
9-(18-pyrido[3,4-b]indol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)pyrido[3,4-b]indole
CID 59147045
8-carbazol-9-yl-[1]benzofuro[2,3-b]pyridine;6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
CID 144782335
4-[(2-carbazol-9-ylphenyl)methyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 145345484
9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
CID 90090627
8-methyl-6-pyrido[3,2-b]indol-5-yl-[1]benzofuro[2,3-c]pyridine
CID 142281021
4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 160763553
6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 145345257
4'-carbazol-9-yl-5'-pyrido[3,4-b]indol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654809
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nccc3c2oc2cnccc23)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 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?
The InChIKey is WMXMFLLPNPAEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-2-13-27(33-34-28(18-20-36-33)26-17-19-35-21-32(26)38-34)22(9-1)23-10-3-6-14-29(23)37-30-15-7-4-11-24(30)25-12-5-8-16-31(25)37/h1-21H.
What are the key properties of 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?
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 has a molecular weight of 487.56 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155101896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).