14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C45H28N4O2 — CID 146213496

IUPAC14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2cc(N3c4ccccc4Oc4cc5c6ccccc6n(-c6ccncc6)c5cc43)ccc2c1
InChIInChI=1S/C45H28N4O2/c1-2-10-36-34(9-1)35-27-45-41(28-40(35)47(36)31-21-23-46-24-22-31)49(39-13-5-8-16-44(39)51-45)33-20-18-29-25-32(19-17-30(29)26-33)48-37-11-3-6-14-42(37)50-43-15-7-4-12-38(43)48/h1-28H
InChIKeyGLROTBIYFNQBSJ-UHFFFAOYSA-N
MW656.75 g/mol
LogP12.48
Rot. Bonds3

About 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 146213496) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID146213496
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2cc(N3c4ccccc4Oc4cc5c6ccccc6n(-c6ccncc6)c5cc43)ccc2c1
InChIInChI=1S/C45H28N4O2/c1-2-10-36-34(9-1)35-27-45-41(28-40(35)47(36)31-21-23-46-24-22-31)49(39-13-5-8-16-44(39)51-45)33-20-18-29-25-32(19-17-30(29)26-33)48-37-11-3-6-14-42(37)50-43-15-7-4-12-38(43)48/h1-28H
InChIKeyGLROTBIYFNQBSJ-UHFFFAOYSA-N
XLogP12.48
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
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
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
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
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
3'-carbazol-9-yl-6'-(3-phenoxazin-10-ylcarbazol-9-yl)spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146655393
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
3-carbazol-9-yl-10-methylphenoxazine
CID 130351981

Frequently Asked Questions

What is the IUPAC name of 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 146213496) is 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc2c(c1)Oc1ccccc1N2c1ccc2cc(N3c4ccccc4Oc4cc5c6ccccc6n(-c6ccncc6)c5cc43)ccc2c1.
What is the InChIKey of 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is GLROTBIYFNQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-2-10-36-34(9-1)35-27-45-41(28-40(35)47(36)31-21-23-46-24-22-31)49(39-13-5-8-16-44(39)51-45)33-20-18-29-25-32(19-17-30(29)26-33)48-37-11-3-6-14-42(37)50-43-15-7-4-12-38(43)48/h1-28H.
What are the key properties of 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 656.75 g/mol, XLogP of 12.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(6-phenoxazin-10-ylnaphthalen-2-yl)-10-pyridin-4-yl-21-oxa-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 146213496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).