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

C53H33NO — CID 177126840

IUPAC11-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4cccc5c4c4ccc6ccccc6c4n5-c4ccccc4)c([2H])c3[2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C53H33NO/c1-2-14-38(15-3-1)54-48-23-12-19-39(51(48)43-31-29-35-13-4-5-16-40(35)52(43)54)36-27-25-34(26-28-36)37-30-32-50-47(33-37)53(46-22-10-11-24-49(46)55-50)44-20-8-6-17-41(44)42-18-7-9-21-45(42)53/h1-33H/i6D,7D,8D,9D,10D,11D,17D,18D,20D,21D,22D,24D,25D,26D,27D,28D,30D,32D,33D
InChIKeyVSQGFFSSELIRGZ-NMHRLFPGSA-N
MW718.97 g/mol
LogP13.74
Rot. Bonds3

About 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

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 (PubChem CID 177126840) has the molecular formula C53H33NO and a molecular weight of 718.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID177126840
Molecular FormulaC53H33NO
Molecular Weight718.97 g/mol
Exact Mass718.38
IUPAC Name11-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
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4cccc5c4c4ccc6ccccc6c4n5-c4ccccc4)c([2H])c3[2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C53H33NO/c1-2-14-38(15-3-1)54-48-23-12-19-39(51(48)43-31-29-35-13-4-5-16-40(35)52(43)54)36-27-25-34(26-28-36)37-30-32-50-47(33-37)53(46-22-10-11-24-49(46)55-50)44-20-8-6-17-41(44)42-18-7-9-21-45(42)53/h1-33H/i6D,7D,8D,9D,10D,11D,17D,18D,20D,21D,22D,24D,25D,26D,27D,28D,30D,32D,33D
InChIKeyVSQGFFSSELIRGZ-NMHRLFPGSA-N
XLogP13.74
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.97
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

7-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 177127410
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
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
4-(1,3,4,5,6,7,8-heptadeuterio-9,9-diphenylxanthen-2-yl)-9-phenylcarbazole
CID 177128060
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
8-(1,3,4,5,6,7,8-heptadeuterio-9,9-dimethylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 177127406
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038803
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
1,2,3,4,5,6,8-heptadeuterio-7-(1',3',4',5',6',7',8'-heptadeuteriospiro[benzo[c]fluorene-7,9'-fluorene]-2'-yl)-9,9-bis(trideuteriomethyl)xanthene
CID 177126753
8-(3,5,6,10,11,12,14,15,16-nonadeuterio-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-11-phenylbenzo[a]carbazole
CID 177126769
7-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-11-phenylbenzo[a]carbazole
CID 170037386
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c2c(c1[2H])Oc1c([2H])c([2H])c(-c3c([2H])c([2H])c(-c4cccc5c4c4ccc6ccccc6c4n5-c4ccccc4)c([2H])c3[2H])c([2H])c1C21c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21.
What is the InChIKey of 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?
The InChIKey is VSQGFFSSELIRGZ-NMHRLFPGSA-N. The full InChI is InChI=1S/C53H33NO/c1-2-14-38(15-3-1)54-48-23-12-19-39(51(48)43-31-29-35-13-4-5-16-40(35)52(43)54)36-27-25-34(26-28-36)37-30-32-50-47(33-37)53(46-22-10-11-24-49(46)55-50)44-20-8-6-17-41(44)42-18-7-9-21-45(42)53/h1-33H/i6D,7D,8D,9D,10D,11D,17D,18D,20D,21D,22D,24D,25D,26D,27D,28D,30D,32D,33D.
What are the key properties of 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?
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 has a molecular weight of 718.97 g/mol, XLogP of 13.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177126840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).