[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane

C48H34N2Sn — CID 162500251

IUPAC[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H19N2.3C6H5.Sn/c1-2-10-21(11-3-1)31-29-17-9-6-14-25(29)26-20-22(18-19-30(26)31)32-27-15-7-4-12-23(27)24-13-5-8-16-28(24)32;3*1-2-4-6-5-3-1;/h2-20H;3*1-5H;/i4D,5D,7D,8D,12D,13D,15D,16D;;;;
InChIKeyLXKDAYWTBMSSOR-NTFSKDQWSA-N
MW765.57 g/mol
LogP9.26
Rot. Bonds6

About [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane

[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane (PubChem CID 162500251) has the molecular formula C48H34N2Sn and a molecular weight of 765.57 g/mol. Its IUPAC name is [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane.

Molecular Properties

Compound Name[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane
PubChem CID162500251
Molecular FormulaC48H34N2Sn
Molecular Weight765.57 g/mol
Exact Mass766.22
IUPAC Name[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H19N2.3C6H5.Sn/c1-2-10-21(11-3-1)31-29-17-9-6-14-25(29)26-20-22(18-19-30(26)31)32-27-15-7-4-12-23(27)24-13-5-8-16-28(24)32;3*1-2-4-6-5-3-1;/h2-20H;3*1-5H;/i4D,5D,7D,8D,12D,13D,15D,16D;;;;
InChIKeyLXKDAYWTBMSSOR-NTFSKDQWSA-N
XLogP9.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.57
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517489
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 166046955
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167377908
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517729
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517762
1,2,3,4-tetradeuterio-9-[9-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517700
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,6-dideuteriophenyl)phenyl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 170517742
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
1,2,3,4-tetradeuterio-9-[9-[3-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 170517744

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane?
The IUPAC name of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane (CID 162500251) is [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane.
What is the SMILES notation for [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane?
The canonical SMILES for [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane?
The InChIKey is LXKDAYWTBMSSOR-NTFSKDQWSA-N. The full InChI is InChI=1S/C30H19N2.3C6H5.Sn/c1-2-10-21(11-3-1)31-29-17-9-6-14-25(29)26-20-22(18-19-30(26)31)32-27-15-7-4-12-23(27)24-13-5-8-16-28(24)32;3*1-2-4-6-5-3-1;/h2-20H;3*1-5H;/i4D,5D,7D,8D,12D,13D,15D,16D;;;;.
What are the key properties of [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane?
[4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane has a molecular weight of 765.57 g/mol, XLogP of 9.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylstannane is sourced from PubChem (CID 162500251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).