4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole

C43H29NO — CID 177128060

IUPAC4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3cccc4c3c3ccccc3n4-c3ccccc3)c([2H])c1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H29NO/c1-4-15-31(16-5-1)43(32-17-6-2-7-18-32)36-23-11-13-26-40(36)45-41-28-27-30(29-37(41)43)34-22-14-25-39-42(34)35-21-10-12-24-38(35)44(39)33-19-8-3-9-20-33/h1-29H/i11D,13D,23D,26D,27D,28D,29D
InChIKeyIEEQMPJUHPALMP-YZKVLUIGSA-N
MW582.75 g/mol
LogP10.94
Rot. Bonds4

About 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole

4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole (PubChem CID 177128060) has the molecular formula C43H29NO and a molecular weight of 582.75 g/mol. Its IUPAC name is 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole
PubChem CID177128060
Molecular FormulaC43H29NO
Molecular Weight582.75 g/mol
Exact Mass582.27
IUPAC Name4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3cccc4c3c3ccccc3n4-c3ccccc3)c([2H])c1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H29NO/c1-4-15-31(16-5-1)43(32-17-6-2-7-18-32)36-23-11-13-26-40(36)45-41-28-27-30(29-37(41)43)34-22-14-25-39-42(34)35-21-10-12-24-38(35)44(39)33-19-8-3-9-20-33/h1-29H/i11D,13D,23D,26D,27D,28D,29D
InChIKeyIEEQMPJUHPALMP-YZKVLUIGSA-N
XLogP10.94
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,5-tetradeuteriophenyl)xanthen-2-yl]-11-phenylbenzo[a]carbazole
CID 177127333
7-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 177127410
11-phenyl-7-[2,3,5,6-tetradeuterio-4-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]benzo[a]carbazole
CID 177126840
3-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)-9-phenylcarbazole
CID 177299189
9-phenyl-3-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,5-tetradeuteriophenyl)xanthen-2-yl]phenyl]carbazole
CID 177127241
3-[4-[1,3,4,5,6,7,8-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-9-(2,3,4,5-tetradeuteriophenyl)xanthen-2-yl]phenyl]-9-phenylcarbazole
CID 177127215
9-phenyl-3-[2,3,4,6-tetradeuterio-5-(1',3',4',5',6',7',8'-heptadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]carbazole
CID 177128020
9-phenyl-3-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)xanthen-2-yl]phenyl]carbazole
CID 177127059
1,2,3,4,5,7,8-heptadeuterio-9-[4-(9-phenylfluoren-9-yl)phenyl]-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011726
9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 118698167
11-phenyl-8-[2,3,5,6-tetradeuterio-4-(1,1',2,3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]benzo[a]carbazole
CID 177128098
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161

Frequently Asked Questions

What is the IUPAC name of 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole?
The IUPAC name of 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole (CID 177128060) is 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole?
The canonical SMILES for 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3cccc4c3c3ccccc3n4-c3ccccc3)c([2H])c1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole?
The InChIKey is IEEQMPJUHPALMP-YZKVLUIGSA-N. The full InChI is InChI=1S/C43H29NO/c1-4-15-31(16-5-1)43(32-17-6-2-7-18-32)36-23-11-13-26-40(36)45-41-28-27-30(29-37(41)43)34-22-14-25-39-42(34)35-21-10-12-24-38(35)44(39)33-19-8-3-9-20-33/h1-29H/i11D,13D,23D,26D,27D,28D,29D.
What are the key properties of 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole?
4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole has a molecular weight of 582.75 g/mol, XLogP of 10.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 177128060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).