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

C36H22N2O3 — CID 118442390

IUPAC10-(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
SMILESc1ccc2c(c1)Oc1cc3c4ccccc4n(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3cc1O2
InChIInChI=1S/C36H22N2O3/c1-2-10-27-25(9-1)26-21-35-36(41-34-16-8-7-15-33(34)40-35)22-30(26)37(27)23-17-19-24(20-18-23)38-28-11-3-5-13-31(28)39-32-14-6-4-12-29(32)38/h1-22H
InChIKeyRKDOBTYNUOBOSP-UHFFFAOYSA-N
MW530.58 g/mol
LogP10.26
Rot. Bonds2

About 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

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 (PubChem CID 118442390) has the molecular formula C36H22N2O3 and a molecular weight of 530.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID118442390
Molecular FormulaC36H22N2O3
Molecular Weight530.58 g/mol
Exact Mass530.16
IUPAC Name10-(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
SMILESc1ccc2c(c1)Oc1cc3c4ccccc4n(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3cc1O2
InChIInChI=1S/C36H22N2O3/c1-2-10-27-25(9-1)26-21-35-36(41-34-16-8-7-15-33(34)40-35)22-30(26)37(27)23-17-19-24(20-18-23)38-28-11-3-5-13-31(28)39-32-14-6-4-12-29(32)38/h1-22H
InChIKeyRKDOBTYNUOBOSP-UHFFFAOYSA-N
XLogP10.26
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
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
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
N-[4-[4-[4-(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-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 118441907
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
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 134559977

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1cc3c4ccccc4n(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)c3cc1O2.
What is the InChIKey of 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?
The InChIKey is RKDOBTYNUOBOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O3/c1-2-10-27-25(9-1)26-21-35-36(41-34-16-8-7-15-33(34)40-35)22-30(26)37(27)23-17-19-24(20-18-23)38-28-11-3-5-13-31(28)39-32-14-6-4-12-29(32)38/h1-22H.
What are the key properties of 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?
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 has a molecular weight of 530.58 g/mol, XLogP of 10.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118442390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).