4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C52H31N7O — CID 153090451

IUPAC4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)c5oc6ncccc6c5n4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C52H31N7O/c1-2-13-33(14-3-1)49-56-50(58-51(57-49)38-16-10-17-39(31-38)59-43-21-8-6-18-40(43)41-19-7-9-22-44(41)59)35-26-24-34(25-27-35)48-54-45(37-28-23-32-12-4-5-15-36(32)30-37)47-46(55-48)42-20-11-29-53-52(42)60-47/h1-31H
InChIKeyVPBIJYVDQVDHNE-UHFFFAOYSA-N
MW769.87 g/mol
LogP12.54
Rot. Bonds6

About 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 153090451) has the molecular formula C52H31N7O and a molecular weight of 769.87 g/mol. Its IUPAC name is 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID153090451
Molecular FormulaC52H31N7O
Molecular Weight769.87 g/mol
Exact Mass769.26
IUPAC Name4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)c5oc6ncccc6c5n4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C52H31N7O/c1-2-13-33(14-3-1)49-56-50(58-51(57-49)38-16-10-17-39(31-38)59-43-21-8-6-18-40(43)41-19-7-9-22-44(41)59)35-26-24-34(25-27-35)48-54-45(37-28-23-32-12-4-5-15-36(32)30-37)47-46(55-48)42-20-11-29-53-52(42)60-47/h1-31H
InChIKeyVPBIJYVDQVDHNE-UHFFFAOYSA-N
XLogP12.54
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.87
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

YM-201636
CID 9956222
4,4-dimethyl-8-N-propan-2-yl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642660
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 16067799
4-Morpholin-4-yl-2-phenyl-pyrido[3'',2'':4,5]furo[3,2-d]pyrimidine
CID 44426435
8-N-ethyl-8-N,4,4-trimethyl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642658
8-N-ethyl-4,4-dimethyl-13-N-(pyridin-3-ylmethyl)-11-oxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-8,13-diamine
CID 56642659
6-(4-Methoxyquinolin-8-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 57399193
2-(4-Piperidin-1-ylpiperidin-1-yl)-6-quinolin-8-yl-[1,3]oxazolo[4,5-b]pyridine
CID 57400952
4-isobutyl-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-7-amine
CID 667020
4-(3-Methoxyphenyl)-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;hydrochloride
CID 45263530
6-Morpholin-4-yl-4-[3-(2-piperidin-1-ylethoxy)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dihydrochloride
CID 90664543
3-(6-Morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)aniline;dihydrochloride
CID 90664902

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 153090451) is 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)c5oc6ncccc6c5n4)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is VPBIJYVDQVDHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N7O/c1-2-13-33(14-3-1)49-56-50(58-51(57-49)38-16-10-17-39(31-38)59-43-21-8-6-18-40(43)41-19-7-9-22-44(41)59)35-26-24-34(25-27-35)48-54-45(37-28-23-32-12-4-5-15-36(32)30-37)47-46(55-48)42-20-11-29-53-52(42)60-47/h1-31H.
What are the key properties of 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 769.87 g/mol, XLogP of 12.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 153090451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).