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

C51H32N4O — CID 122629660

IUPAC3-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3O4)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)49-52-50(34-16-6-2-7-17-34)54-51(53-49)37-26-29-48-44(32-37)40-21-11-10-20-39(40)43-31-36(25-28-47(43)56-48)35-24-27-46-42(30-35)41-22-12-13-23-45(41)55(46)38-18-8-3-9-19-38/h1-32H
InChIKeyMOFDANQJSDEKPK-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.08
Rot. Bonds5

About 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

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 (PubChem CID 122629660) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID122629660
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name3-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3O4)n2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)49-52-50(34-16-6-2-7-17-34)54-51(53-49)37-26-29-48-44(32-37)40-21-11-10-20-39(40)43-31-36(25-28-47(43)56-48)35-24-27-46-42(30-35)41-22-12-13-23-45(41)55(46)38-18-8-3-9-19-38/h1-32H
InChIKeyMOFDANQJSDEKPK-UHFFFAOYSA-N
XLogP13.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167137909
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
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
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
5-[4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl]phenyl]benzo[b]carbazole
CID 170183111
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 90211376

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3O4)n2)cc1.
What is the InChIKey of 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?
The InChIKey is MOFDANQJSDEKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-14-33(15-5-1)49-52-50(34-16-6-2-7-17-34)54-51(53-49)37-26-29-48-44(32-37)40-21-11-10-20-39(40)43-31-36(25-28-47(43)56-48)35-24-27-46-42(30-35)41-22-12-13-23-45(41)55(46)38-18-8-3-9-19-38/h1-32H.
What are the key properties of 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?
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 has a molecular weight of 716.84 g/mol, XLogP of 13.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122629660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).