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

C49H33NO — CID 177127241

IUPAC9-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
SMILES[2H]c1cc(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3Oc3c([2H])c([2H])c(-c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c([2H])c4[2H])c([2H])c32)c([2H])c([2H])c1[2H]
InChIInChI=1S/C49H33NO/c1-4-14-38(15-5-1)49(39-16-6-2-7-17-39)43-21-11-13-23-47(43)51-48-31-29-37(33-44(48)49)35-26-24-34(25-27-35)36-28-30-46-42(32-36)41-20-10-12-22-45(41)50(46)40-18-8-3-9-19-40/h1-33H/i1D,2D,4D,5D,6D,7D,11D,13D,14D,15D,16D,21D,23D,24D,25D,26D,27D,29D,31D,33D
InChIKeyBDUUMFLFWXNPLA-JYJLYFFXSA-N
MW671.93 g/mol
LogP12.61
Rot. Bonds5

About 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

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 (PubChem CID 177127241) has the molecular formula C49H33NO and a molecular weight of 671.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID177127241
Molecular FormulaC49H33NO
Molecular Weight671.93 g/mol
Exact Mass671.38
IUPAC Name9-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
SMILES[2H]c1cc(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3Oc3c([2H])c([2H])c(-c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c([2H])c4[2H])c([2H])c32)c([2H])c([2H])c1[2H]
InChIInChI=1S/C49H33NO/c1-4-14-38(15-5-1)49(39-16-6-2-7-17-39)43-21-11-13-23-47(43)51-48-31-29-37(33-44(48)49)35-26-24-34(25-27-35)36-28-30-46-42(32-36)41-20-10-12-22-45(41)50(46)40-18-8-3-9-19-40/h1-33H/i1D,2D,4D,5D,6D,7D,11D,13D,14D,15D,16D,21D,23D,24D,25D,26D,27D,29D,31D,33D
InChIKeyBDUUMFLFWXNPLA-JYJLYFFXSA-N
XLogP12.61
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.93
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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-9,9-bis(trideuteriomethyl)xanthen-2-yl]phenyl]carbazole
CID 177127059
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
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
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 165384217
4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole
CID 177128060
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
8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 177127406
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 167679487
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 165384192
2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5-trideuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 165384019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1cc(C2(c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3Oc3c([2H])c([2H])c(-c4c([2H])c([2H])c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c([2H])c4[2H])c([2H])c32)c([2H])c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is BDUUMFLFWXNPLA-JYJLYFFXSA-N. The full InChI is InChI=1S/C49H33NO/c1-4-14-38(15-5-1)49(39-16-6-2-7-17-39)43-21-11-13-23-47(43)51-48-31-29-37(33-44(48)49)35-26-24-34(25-27-35)36-28-30-46-42(32-36)41-20-10-12-22-45(41)50(46)40-18-8-3-9-19-40/h1-33H/i1D,2D,4D,5D,6D,7D,11D,13D,14D,15D,16D,21D,23D,24D,25D,26D,27D,29D,31D,33D.
What are the key properties of 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?
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 has a molecular weight of 671.93 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177127241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).