16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C57H35N5O — CID 171591537

IUPAC16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccc6c(c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7n6-c6ccccc6)c45)c3c2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)39-31-32-42-41-25-13-14-29-46(41)62(49(42)35-39)48-30-16-27-44-52-50(63-54(44)48)34-33-47-51(52)43-26-15-28-45(53(43)61(47)40-23-11-4-12-24-40)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyZULWMPUMLIUXGW-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.63
Rot. Bonds6

About 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 171591537) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
PubChem CID171591537
Molecular FormulaC57H35N5O
Molecular Weight805.94 g/mol
Exact Mass805.28
IUPAC Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccc6c(c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7n6-c6ccccc6)c45)c3c2)cc1
InChIInChI=1S/C57H35N5O/c1-5-17-36(18-6-1)39-31-32-42-41-25-13-14-29-46(41)62(49(42)35-39)48-30-16-27-44-52-50(63-54(44)48)34-33-47-51(52)43-26-15-28-45(53(43)61(47)40-23-11-4-12-24-40)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H
InChIKeyZULWMPUMLIUXGW-UHFFFAOYSA-N
XLogP14.63
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-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

4-carbazol-9-yl-16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 171591732
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
7-phenyl-14-[2-[4-phenyl-6-(3-phenylphenyl)-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(8),4,6,11,15,17,19-nonaene;7-phenyl-14-[2-[4-phenyl-6-(4-phenylphenyl)-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(8),4,6,11,15,17,19-nonaene
CID 165003957
10-carbazol-9-yl-12-phenyl-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 171591825
9-(9-phenyldibenzofuran-4-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080349
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-5-phenylindolo[3,2-c]carbazole
CID 164707749
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
3-[4-[4-[4-(6-benzo[a]carbazol-11-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 146491418
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591577
10-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 171591828
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348

Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 171591537) is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.
What is the SMILES notation for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The canonical SMILES for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4oc4ccc6c(c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7n6-c6ccccc6)c45)c3c2)cc1.
What is the InChIKey of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The InChIKey is ZULWMPUMLIUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-5-17-36(18-6-1)39-31-32-42-41-25-13-14-29-46(41)62(49(42)35-39)48-30-16-27-44-52-50(63-54(44)48)34-33-47-51(52)43-26-15-28-45(53(43)61(47)40-23-11-4-12-24-40)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H.
What are the key properties of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-7-(2-phenylcarbazol-9-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 171591537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).