6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

C51H31N5O2 — CID 118441952

IUPAC6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)Oc5ccccc5O7)ccc43)n2)cc1
InChIInChI=1S/C51H31N5O2/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)56-41-21-11-10-20-37(41)38-28-34(25-27-43(38)56)35-24-26-42-39(29-35)40-30-47-48(58-46-23-13-12-22-45(46)57-47)31-44(40)55(42)36-18-8-3-9-19-36/h1-31H
InChIKeyLXRQZPUFUHHNFE-UHFFFAOYSA-N
MW745.84 g/mol
LogP12.96
Rot. Bonds5

About 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene

6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (PubChem CID 118441952) has the molecular formula C51H31N5O2 and a molecular weight of 745.84 g/mol. Its IUPAC name is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
PubChem CID118441952
Molecular FormulaC51H31N5O2
Molecular Weight745.84 g/mol
Exact Mass745.25
IUPAC Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)Oc5ccccc5O7)ccc43)n2)cc1
InChIInChI=1S/C51H31N5O2/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)56-41-21-11-10-20-37(41)38-28-34(25-27-43(38)56)35-24-26-42-39(29-35)40-30-47-48(58-46-23-13-12-22-45(46)57-47)31-44(40)55(42)36-18-8-3-9-19-36/h1-31H
InChIKeyLXRQZPUFUHHNFE-UHFFFAOYSA-N
XLogP12.96
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.84
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-9-phenylcarbazole
CID 122629660
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-N,N-diphenylaniline
CID 163848012
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 165079921
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene (CID 118441952) is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene.
What is the SMILES notation for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The canonical SMILES for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)Oc5ccccc5O7)ccc43)n2)cc1.
What is the InChIKey of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
The InChIKey is LXRQZPUFUHHNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O2/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)56-41-21-11-10-20-37(41)38-28-34(25-27-43(38)56)35-24-26-42-39(29-35)40-30-47-48(58-46-23-13-12-22-45(46)57-47)31-44(40)55(42)36-18-8-3-9-19-36/h1-31H.
What are the key properties of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene?
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene has a molecular weight of 745.84 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene is sourced from PubChem (CID 118441952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).