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

C33H23N3O — CID 122469254

IUPAC5-(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
SMILESCCc1nc2cccc3c2n1-c1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc1O3
InChIInChI=1S/C33H23N3O/c1-2-32-34-26-10-7-13-30-33(26)36(32)29-19-16-22(20-31(29)37-30)21-14-17-23(18-15-21)35-27-11-5-3-8-24(27)25-9-4-6-12-28(25)35/h3-20H,2H2,1H3
InChIKeyAFNAISBINHMGKP-UHFFFAOYSA-N
MW477.57 g/mol
LogP8.46
Rot. Bonds3

About 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

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 (PubChem CID 122469254) has the molecular formula C33H23N3O and a molecular weight of 477.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID122469254
Molecular FormulaC33H23N3O
Molecular Weight477.57 g/mol
Exact Mass477.18
IUPAC Name5-(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
SMILESCCc1nc2cccc3c2n1-c1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc1O3
InChIInChI=1S/C33H23N3O/c1-2-32-34-26-10-7-13-30-33(26)36(32)29-19-16-22(20-31(29)37-30)21-14-17-23(18-15-21)35-27-11-5-3-8-24(27)25-9-4-6-12-28(25)35/h3-20H,2H2,1H3
InChIKeyAFNAISBINHMGKP-UHFFFAOYSA-N
XLogP8.46
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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;5-(3,5-diphenylphenyl)-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;5-(4,6-diphenyl-1,3,5-triazin-2-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 157051138
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
15-ethyl-5-pyridin-4-yl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469250
15-ethyl-5-(10-naphthalen-2-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469189
15-ethyl-4-phenyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469416
5-[4-(1,3-benzothiazol-2-yl)phenyl]-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 122469257
15-ethyl-4-[10-(3-phenylphenyl)anthracen-9-yl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469378
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
15-methyl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469243
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
15-ethyl-4-(10-pyridin-3-ylanthracen-9-yl)-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469389
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2cccc3c2n1-c1ccc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)cc1O3.
What is the InChIKey of 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?
The InChIKey is AFNAISBINHMGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O/c1-2-32-34-26-10-7-13-30-33(26)36(32)29-19-16-22(20-31(29)37-30)21-14-17-23(18-15-21)35-27-11-5-3-8-24(27)25-9-4-6-12-28(25)35/h3-20H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 477.57 g/mol, XLogP of 8.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122469254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).