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

C49H31NO — CID 177128020

IUPAC9-phenyl-3-[2,3,4,6-tetradeuterio-5-(1',3',4',5',6',7',8'-heptadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H31NO/c1-2-15-36(16-3-1)50-45-23-10-6-19-39(45)40-30-34(25-27-46(40)50)32-13-12-14-33(29-32)35-26-28-48-44(31-35)49(43-22-9-11-24-47(43)51-48)41-20-7-4-17-37(41)38-18-5-8-21-42(38)49/h1-31H/i9D,11D,12D,13D,14D,22D,24D,26D,28D,29D,31D
InChIKeySDWYIQWYSOSKMP-WSKZJTMVSA-N
MW660.86 g/mol
LogP12.59
Rot. Bonds3

About 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

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 (PubChem CID 177128020) has the molecular formula C49H31NO and a molecular weight of 660.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-phenyl-3-[2,3,4,6-tetradeuterio-5-(1',3',4',5',6',7',8'-heptadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]carbazole
PubChem CID177128020
Molecular FormulaC49H31NO
Molecular Weight660.86 g/mol
Exact Mass660.31
IUPAC Name9-phenyl-3-[2,3,4,6-tetradeuterio-5-(1',3',4',5',6',7',8'-heptadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H31NO/c1-2-15-36(16-3-1)50-45-23-10-6-19-39(45)40-30-34(25-27-46(40)50)32-13-12-14-33(29-32)35-26-28-48-44(31-35)49(43-22-9-11-24-47(43)51-48)41-20-7-4-17-37(41)38-18-5-8-21-42(38)49/h1-31H/i9D,11D,12D,13D,14D,22D,24D,26D,28D,29D,31D
InChIKeySDWYIQWYSOSKMP-WSKZJTMVSA-N
XLogP12.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-[2,3,5,6-tetradeuterio-4-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)xanthen-2-yl]phenyl]carbazole
CID 177127059
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
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-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole
CID 177128060
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 177127406
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3c([2H])c([2H])c([2H])c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3[2H])c([2H])c1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is SDWYIQWYSOSKMP-WSKZJTMVSA-N. The full InChI is InChI=1S/C49H31NO/c1-2-15-36(16-3-1)50-45-23-10-6-19-39(45)40-30-34(25-27-46(40)50)32-13-12-14-33(29-32)35-26-28-48-44(31-35)49(43-22-9-11-24-47(43)51-48)41-20-7-4-17-37(41)38-18-5-8-21-42(38)49/h1-31H/i9D,11D,12D,13D,14D,22D,24D,26D,28D,29D,31D.
What are the key properties of 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?
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 has a molecular weight of 660.86 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[2,3,4,6-tetradeuterio-5-(1',3',4',5',6',7',8'-heptadeuteriospiro[fluorene-9,9'-xanthene]-2'-yl)phenyl]carbazole is sourced from PubChem (CID 177128020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).