11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C47H25F6N5O2 — CID 147159013

IUPAC11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESFC(F)(F)c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc(C(F)(F)F)cc1O3
InChIInChI=1S/C47H25F6N5O2/c48-46(49,50)30-16-19-36-38(24-30)59-40-22-29(23-41-42(40)57(36)37-20-17-31(47(51,52)53)25-39(37)60-41)28-15-18-35-33(21-28)32-13-7-8-14-34(32)58(35)45-55-43(26-9-3-1-4-10-26)54-44(56-45)27-11-5-2-6-12-27/h1-25H
InChIKeyBVLNHNVUKSQKTA-UHFFFAOYSA-N
MW805.74 g/mol
LogP13.69
Rot. Bonds4

About 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 147159013) has the molecular formula C47H25F6N5O2 and a molecular weight of 805.74 g/mol. Its IUPAC name is 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID147159013
Molecular FormulaC47H25F6N5O2
Molecular Weight805.74 g/mol
Exact Mass805.19
IUPAC Name11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESFC(F)(F)c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc(C(F)(F)F)cc1O3
InChIInChI=1S/C47H25F6N5O2/c48-46(49,50)30-16-19-36-38(24-30)59-40-22-29(23-41-42(40)57(36)37-20-17-31(47(51,52)53)25-39(37)60-41)28-15-18-35-33(21-28)32-13-7-8-14-34(32)58(35)45-55-43(26-9-3-1-4-10-26)54-44(56-45)27-11-5-2-6-12-27/h1-25H
InChIKeyBVLNHNVUKSQKTA-UHFFFAOYSA-N
XLogP13.69
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.74
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 147159013) is 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is FC(F)(F)c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1N2c1ccc(C(F)(F)F)cc1O3.
What is the InChIKey of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is BVLNHNVUKSQKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H25F6N5O2/c48-46(49,50)30-16-19-36-38(24-30)59-40-22-29(23-41-42(40)57(36)37-20-17-31(47(51,52)53)25-39(37)60-41)28-15-18-35-33(21-28)32-13-7-8-14-34(32)58(35)45-55-43(26-9-3-1-4-10-26)54-44(56-45)27-11-5-2-6-12-27/h1-25H.
What are the key properties of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 805.74 g/mol, XLogP of 13.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 147159013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).