4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C46H29N3O — CID 176726026

IUPAC4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5c(c6ccccc6n5-c5cccc(-c6ccccc6)c5)c34)c2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)33-20-12-22-35(28-33)45-47-44(32-18-8-3-9-19-32)43-42-40(50-46(43)48-45)27-26-39-41(42)37-24-10-11-25-38(37)49(39)36-23-13-21-34(29-36)31-16-6-2-7-17-31/h1-29H
InChIKeyPHGMZSMZYMQKGZ-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 176726026) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID176726026
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5c(c6ccccc6n5-c5cccc(-c6ccccc6)c5)c34)c2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)33-20-12-22-35(28-33)45-47-44(32-18-8-3-9-19-32)43-42-40(50-46(43)48-45)27-26-39-41(42)37-24-10-11-25-38(37)49(39)36-23-13-21-34(29-36)31-16-6-2-7-17-31/h1-29H
InChIKeyPHGMZSMZYMQKGZ-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 163495348
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037238
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156554565
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598828
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 147983982
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961355
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
16-phenyl-14-(3-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 129129170
22-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-19-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621816
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
26-[3-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 166023592

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 176726026) is 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5c(c6ccccc6n5-c5cccc(-c6ccccc6)c5)c34)c2)cc1.
What is the InChIKey of 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is PHGMZSMZYMQKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-14-30(15-5-1)33-20-12-22-35(28-33)45-47-44(32-18-8-3-9-19-32)43-42-40(50-46(43)48-45)27-26-39-41(42)37-24-10-11-25-38(37)49(39)36-23-13-21-34(29-36)31-16-6-2-7-17-31/h1-29H.
What are the key properties of 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6,14-bis(3-phenylphenyl)-9-oxa-5,7,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 176726026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).