9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene

C32H20N4O2 — CID 164734193

IUPAC9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)-c4nccn4-c4ccccc4O5)cc32)nc1
InChIInChI=1S/C32H20N4O2/c1-2-8-26-23(7-1)24-14-12-22(20-28(24)36(26)31-11-5-6-16-33-31)37-21-13-15-29-25(19-21)32-34-17-18-35(32)27-9-3-4-10-30(27)38-29/h1-20H
InChIKeyBOBZLWJRFQRQML-UHFFFAOYSA-N
MW492.54 g/mol
LogP7.93
Rot. Bonds3

About 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene

9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene (PubChem CID 164734193) has the molecular formula C32H20N4O2 and a molecular weight of 492.54 g/mol. Its IUPAC name is 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene
PubChem CID164734193
Molecular FormulaC32H20N4O2
Molecular Weight492.54 g/mol
Exact Mass492.16
IUPAC Name9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)-c4nccn4-c4ccccc4O5)cc32)nc1
InChIInChI=1S/C32H20N4O2/c1-2-8-26-23(7-1)24-14-12-22(20-28(24)36(26)31-11-5-6-16-33-31)37-21-13-15-29-25(19-21)32-34-17-18-35(32)27-9-3-4-10-30(27)38-29/h1-20H
InChIKeyBOBZLWJRFQRQML-UHFFFAOYSA-N
XLogP7.93
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene with MolForge

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Related Compounds

10-[1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]pyrazol-4-yl]phenoxazine
CID 140730449
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-tritert-butylphenyl)imidazo[1,2-c][1,3,2]benzoxazaborinine
CID 155616463
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948681
6-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771880
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
CID 153411413
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671

Frequently Asked Questions

What is the IUPAC name of 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene?
The IUPAC name of 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene (CID 164734193) is 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene.
What is the SMILES notation for 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene?
The canonical SMILES for 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene is c1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c(c4)-c4nccn4-c4ccccc4O5)cc32)nc1.
What is the InChIKey of 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene?
The InChIKey is BOBZLWJRFQRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O2/c1-2-8-26-23(7-1)24-14-12-22(20-28(24)36(26)31-11-5-6-16-33-31)37-21-13-15-29-25(19-21)32-34-17-18-35(32)27-9-3-4-10-30(27)38-29/h1-20H.
What are the key properties of 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene?
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene has a molecular weight of 492.54 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-pyridin-2-ylcarbazol-2-yl)oxy-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 164734193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).