15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C36H20F2N2O — CID 164795788

IUPAC15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2cccc3c2Oc2cccc4c5ccccc5n-3c24)cc1
InChIInChI=1S/C36H20F2N2O/c37-22-13-17-31-28(19-22)29-20-23(38)14-18-32(29)39(31)24-15-11-21(12-16-24)25-6-3-9-33-36(25)41-34-10-4-7-27-26-5-1-2-8-30(26)40(33)35(27)34/h1-20H
InChIKeyKESDSMDEUCQYNG-UHFFFAOYSA-N
MW534.57 g/mol
LogP9.93
Rot. Bonds2

About 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795788) has the molecular formula C36H20F2N2O and a molecular weight of 534.57 g/mol. Its IUPAC name is 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID164795788
Molecular FormulaC36H20F2N2O
Molecular Weight534.57 g/mol
Exact Mass534.15
IUPAC Name15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESFc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2cccc3c2Oc2cccc4c5ccccc5n-3c24)cc1
InChIInChI=1S/C36H20F2N2O/c37-22-13-17-31-28(19-22)29-20-23(38)14-18-32(29)39(31)24-15-11-21(12-16-24)25-6-3-9-33-36(25)41-34-10-4-7-27-26-5-1-2-8-30(26)40(33)35(27)34/h1-20H
InChIKeyKESDSMDEUCQYNG-UHFFFAOYSA-N
XLogP9.93
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

5-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795334
3-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795331
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
18-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795476
17-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795779
6-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795219
9-[4-(2,4-difluorophenyl)phenyl]carbazole
CID 122431328
11-[4-(3-dibenzothiophen-1-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795265
3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795543
4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795640
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795552

Frequently Asked Questions

What is the IUPAC name of 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795788) is 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is Fc1ccc2c(c1)c1cc(F)ccc1n2-c1ccc(-c2cccc3c2Oc2cccc4c5ccccc5n-3c24)cc1.
What is the InChIKey of 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is KESDSMDEUCQYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F2N2O/c37-22-13-17-31-28(19-22)29-20-23(38)14-18-32(29)39(31)24-15-11-21(12-16-24)25-6-3-9-33-36(25)41-34-10-4-7-27-26-5-1-2-8-30(26)40(33)35(27)34/h1-20H.
What are the key properties of 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 534.57 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(3,6-difluorocarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).