6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C24H13NO2 — CID 162486868

IUPAC6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2ccc3c4cccc5c4n4c3c2Oc2cccc(c2-4)O5)cc1
InChIInChI=1S/C24H13NO2/c1-2-6-14(7-3-1)15-12-13-17-16-8-4-9-18-21(16)25-22(17)24(15)27-20-11-5-10-19(26-18)23(20)25/h1-13H
InChIKeyDZGBHORSEBXCPG-UHFFFAOYSA-N
MW347.37 g/mol
LogP6.66
Rot. Bonds1

About 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 162486868) has the molecular formula C24H13NO2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID162486868
Molecular FormulaC24H13NO2
Molecular Weight347.37 g/mol
Exact Mass347.09
IUPAC Name6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(-c2ccc3c4cccc5c4n4c3c2Oc2cccc(c2-4)O5)cc1
InChIInChI=1S/C24H13NO2/c1-2-6-14(7-3-1)15-12-13-17-16-8-4-9-18-21(16)25-22(17)24(15)27-20-11-5-10-19(26-18)23(20)25/h1-13H
InChIKeyDZGBHORSEBXCPG-UHFFFAOYSA-N
XLogP6.66
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine
CID 162486931
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[3-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)-9H-fluoren-2-amine
CID 163974022
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
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 177106443
17-[4-(3,5-diphenylphenyl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene
CID 126589976
11-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]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;18-(4-carbazol-9-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;11-[2-(2-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;11-[3-(4-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;18-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;11-[2-[2-(3,6-diphenylcarbazol-9-yl)phenyl]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;11-[3-[3-(3,6-diphenylcarbazol-9-yl)phenyl]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 164997761
5-[4-[3-(2-phenylphenyl)-2-(3-phenylphenyl)propyl]phenyl]-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 163827859
18-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795476
12-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 129229617
5-[3-[3-(4-phenylphenyl)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 138612489
18-[3-(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 164795482
11-[4-(3-dibenzothiophen-1-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795265

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 162486868) is 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(-c2ccc3c4cccc5c4n4c3c2Oc2cccc(c2-4)O5)cc1.
What is the InChIKey of 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is DZGBHORSEBXCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13NO2/c1-2-6-14(7-3-1)15-12-13-17-16-8-4-9-18-21(16)25-22(17)24(15)27-20-11-5-10-19(26-18)23(20)25/h1-13H.
What are the key properties of 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?
6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 347.37 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 162486868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).