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

C29H19N3O — CID 145345484

IUPAC4-[(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
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(Cc2cc3c(cn2)oc2cnccc23)c1
InChIInChI=1S/C29H19N3O/c1-4-10-25(32-26-11-5-2-8-21(26)22-9-3-6-12-27(22)32)19(7-1)15-20-16-24-23-13-14-30-17-28(23)33-29(24)18-31-20/h1-14,16-18H,15H2
InChIKeyYHROUCJKZMTMQF-UHFFFAOYSA-N
MW425.49 g/mol
LogP7.06
Rot. Bonds3

About 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

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 (PubChem CID 145345484) has the molecular formula C29H19N3O and a molecular weight of 425.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID145345484
Molecular FormulaC29H19N3O
Molecular Weight425.49 g/mol
Exact Mass425.15
IUPAC Name4-[(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
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(Cc2cc3c(cn2)oc2cnccc23)c1
InChIInChI=1S/C29H19N3O/c1-4-10-25(32-26-11-5-2-8-21(26)22-9-3-6-12-27(22)32)19(7-1)15-20-16-24-23-13-14-30-17-28(23)33-29(24)18-31-20/h1-14,16-18H,15H2
InChIKeyYHROUCJKZMTMQF-UHFFFAOYSA-N
XLogP7.06
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
9-[2-[(2-carbazol-9-ylphenyl)methyl]phenyl]carbazole
CID 145345322
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
11-(1,3-benzoxazol-4-yl)-[1]benzofuro[3,2-b]carbazole
CID 118488526
4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155076406
9-(17-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-7-yl)carbazole
CID 59147323
10-oxa-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 139524855
5-[[2-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]methyl]benzene-1,3-dicarbonitrile
CID 163457193
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099526
9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 58038552

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3ccccc32)c(Cc2cc3c(cn2)oc2cnccc23)c1.
What is the InChIKey of 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?
The InChIKey is YHROUCJKZMTMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O/c1-4-10-25(32-26-11-5-2-8-21(26)22-9-3-6-12-27(22)32)19(7-1)15-20-16-24-23-13-14-30-17-28(23)33-29(24)18-31-20/h1-14,16-18H,15H2.
What are the key properties of 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?
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 has a molecular weight of 425.49 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145345484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).