15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C31H19N3O — CID 122469089

IUPAC15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1cc(-c2nc3cccc4c3n2-c2ccccc2O4)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3O/c1-3-14-25-22(11-1)23-12-2-4-15-26(23)33(25)21-10-7-9-20(19-21)31-32-24-13-8-18-29-30(24)34(31)27-16-5-6-17-28(27)35-29/h1-19H
InChIKeyPKGYRCALTPHQOW-UHFFFAOYSA-N
MW449.51 g/mol
LogP7.90
Rot. Bonds2

About 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122469089) has the molecular formula C31H19N3O and a molecular weight of 449.51 g/mol. Its IUPAC name is 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID122469089
Molecular FormulaC31H19N3O
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1cc(-c2nc3cccc4c3n2-c2ccccc2O4)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C31H19N3O/c1-3-14-25-22(11-1)23-12-2-4-15-26(23)33(25)21-10-7-9-20(19-21)31-32-24-13-8-18-29-30(24)34(31)27-16-5-6-17-28(27)35-29/h1-19H
InChIKeyPKGYRCALTPHQOW-UHFFFAOYSA-N
XLogP7.90
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Related Compounds

3-(3-carbazol-9-ylphenyl)-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 164795494
5-[4-(3-carbazol-9-ylphenyl)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 164795226
10-(3-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795408
5-carbazol-9-yl-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469284
5-[3-(3,6-diphenylcarbazol-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 164795199
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469254
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
4-[3-[3-(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 164795320
15-phenyl-5-[(E)-2-phenylethenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469318
15-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122469108
11-[4-(3-carbazol-9-ylphenyl)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 164795576
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700

Frequently Asked Questions

What is the IUPAC name of 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122469089) is 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is c1cc(-c2nc3cccc4c3n2-c2ccccc2O4)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is PKGYRCALTPHQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3O/c1-3-14-25-22(11-1)23-12-2-4-15-26(23)33(25)21-10-7-9-20(19-21)31-32-24-13-8-18-29-30(24)34(31)27-16-5-6-17-28(27)35-29/h1-19H.
What are the key properties of 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 449.51 g/mol, XLogP of 7.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-carbazol-9-ylphenyl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122469089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).