1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole

C60H35N5O2 — CID 177130706

IUPAC1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-c2cccc3ncccc23)n1
InChIInChI=1S/C60H35N5O2/c1-5-27-51-42(16-1)43-17-2-6-28-52(43)65(51)53-29-7-3-19-48(53)60-63-58(62-59(64-60)47-24-12-26-50-41(47)25-13-33-61-50)38-15-9-14-36(34-38)39-20-11-23-46-49-35-37(31-32-55(49)67-57(39)46)40-21-10-22-45-44-18-4-8-30-54(44)66-56(40)45/h1-35H/i1D,2D,5D,16D,17D,27D,28D
InChIKeyBEUAPDCSOJHLFC-NHDYRCMFSA-N
MW865.02 g/mol
LogP15.65
Rot. Bonds6

About 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177130706) has the molecular formula C60H35N5O2 and a molecular weight of 865.02 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID177130706
Molecular FormulaC60H35N5O2
Molecular Weight865.02 g/mol
Exact Mass864.32
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-c2cccc3ncccc23)n1
InChIInChI=1S/C60H35N5O2/c1-5-27-51-42(16-1)43-17-2-6-28-52(43)65(51)53-29-7-3-19-48(53)60-63-58(62-59(64-60)47-24-12-26-50-41(47)25-13-33-61-50)38-15-9-14-36(34-38)39-20-11-23-46-49-35-37(31-32-55(49)67-57(39)46)40-21-10-22-45-44-18-4-8-30-54(44)66-56(40)45/h1-35H/i1D,2D,5D,16D,17D,27D,28D
InChIKeyBEUAPDCSOJHLFC-NHDYRCMFSA-N
XLogP15.65
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.02
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130587
9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130463
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130575
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130467
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130323
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-2-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130679
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130618
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130442
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-3-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130283
9-[2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-4-dibenzofuran-4-ylphenyl]-1,3,4,5,6,8-hexadeuteriocarbazole
CID 172525899
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130464
1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 169059426

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177130706) is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2cccc(-c3cccc4c3oc3ccc(-c5cccc6c5oc5ccccc56)cc34)c2)nc(-c2cccc3ncccc23)n1.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is BEUAPDCSOJHLFC-NHDYRCMFSA-N. The full InChI is InChI=1S/C60H35N5O2/c1-5-27-51-42(16-1)43-17-2-6-28-52(43)65(51)53-29-7-3-19-48(53)60-63-58(62-59(64-60)47-24-12-26-50-41(47)25-13-33-61-50)38-15-9-14-36(34-38)39-20-11-23-46-49-35-37(31-32-55(49)67-57(39)46)40-21-10-22-45-44-18-4-8-30-54(44)66-56(40)45/h1-35H/i1D,2D,5D,16D,17D,27D,28D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 865.02 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).