6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C34H18F2N4O — CID 145345231

IUPAC6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESFc1ccc2c(c1)c1cc(F)cc(-n3c4ccccc4c4ccccc43)c1n2-c1ccnc2c1oc1cccnc12
InChIInChI=1S/C34H18F2N4O/c35-19-11-12-27-23(16-19)24-17-20(36)18-29(39-25-8-3-1-6-21(25)22-7-2-4-9-26(22)39)33(24)40(27)28-13-15-38-32-31-30(41-34(28)32)10-5-14-37-31/h1-18H
InChIKeyYLHSGCJSQVOWNS-UHFFFAOYSA-N
MW536.54 g/mol
LogP8.85
Rot. Bonds2

About 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 145345231) has the molecular formula C34H18F2N4O and a molecular weight of 536.54 g/mol. Its IUPAC name is 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID145345231
Molecular FormulaC34H18F2N4O
Molecular Weight536.54 g/mol
Exact Mass536.14
IUPAC Name6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESFc1ccc2c(c1)c1cc(F)cc(-n3c4ccccc4c4ccccc43)c1n2-c1ccnc2c1oc1cccnc12
InChIInChI=1S/C34H18F2N4O/c35-19-11-12-27-23(16-19)24-17-20(36)18-29(39-25-8-3-1-6-21(25)22-7-2-4-9-26(22)39)33(24)40(27)28-13-15-38-32-31-30(41-34(28)32)10-5-14-37-31/h1-18H
InChIKeyYLHSGCJSQVOWNS-UHFFFAOYSA-N
XLogP8.85
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.54
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137632564
N-[[1-[3-(dimethylamino)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137642259
N-[[1-(3-piperidin-1-ylpropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137647438
N-[[1-(3-aminopropyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137650595
N-[[1-(2-aminoethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137655340
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137658203
N-[[1-[3-(diethylamino)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137658991
N-[[1-[2-(diethylamino)ethyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137659173
N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137639056
N-[[1-(2-phenylethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137633370
N-[[1-[3-(4-methylpiperazin-1-yl)propyl]triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137636563
N-[[1-(2-morpholin-4-ylethyl)triazol-4-yl]methyl]-[1]benzofuro[3,2-b]quinolin-11-amine
CID 137636749

Frequently Asked Questions

What is the IUPAC name of 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 145345231) is 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Fc1ccc2c(c1)c1cc(F)cc(-n3c4ccccc4c4ccccc43)c1n2-c1ccnc2c1oc1cccnc12.
What is the InChIKey of 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is YLHSGCJSQVOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18F2N4O/c35-19-11-12-27-23(16-19)24-17-20(36)18-29(39-25-8-3-1-6-21(25)22-7-2-4-9-26(22)39)33(24)40(27)28-13-15-38-32-31-30(41-34(28)32)10-5-14-37-31/h1-18H.
What are the key properties of 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 536.54 g/mol, XLogP of 8.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-carbazol-9-yl-3,6-difluorocarbazol-9-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 145345231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).