7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole

C47H31NO — CID 170038803

IUPAC7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)c3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C47H31NO/c1-4-16-34(17-5-1)47(35-18-6-2-7-19-35)40-24-12-13-26-43(40)49-44-30-28-33(31-41(44)47)37-23-14-25-42-45(37)39-29-27-32-15-10-11-22-38(32)46(39)48(42)36-20-8-3-9-21-36/h1-31H
InChIKeyGXJHVJVKFUAZRM-UHFFFAOYSA-N
MW625.77 g/mol
LogP12.09
Rot. Bonds4

About 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole

7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole (PubChem CID 170038803) has the molecular formula C47H31NO and a molecular weight of 625.77 g/mol. Its IUPAC name is 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
PubChem CID170038803
Molecular FormulaC47H31NO
Molecular Weight625.77 g/mol
Exact Mass625.24
IUPAC Name7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)c3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C47H31NO/c1-4-16-34(17-5-1)47(35-18-6-2-7-19-35)40-24-12-13-26-43(40)49-44-30-28-33(31-41(44)47)37-23-14-25-42-45(37)39-29-27-32-15-10-11-22-38(32)46(39)48(42)36-20-8-3-9-21-36/h1-31H
InChIKeyGXJHVJVKFUAZRM-UHFFFAOYSA-N
XLogP12.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.77
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
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
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660260
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
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
5-[2-(9,9-diphenylxanthen-2-yl)phenyl]benzo[b]carbazole
CID 170039037
7-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166737834
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
The IUPAC name of 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole (CID 170038803) is 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
The canonical SMILES for 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole is c1ccc(-n2c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4O5)c3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
The InChIKey is GXJHVJVKFUAZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO/c1-4-16-34(17-5-1)47(35-18-6-2-7-19-35)40-24-12-13-26-43(40)49-44-30-28-33(31-41(44)47)37-23-14-25-42-45(37)39-29-27-32-15-10-11-22-38(32)46(39)48(42)36-20-8-3-9-21-36/h1-31H.
What are the key properties of 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole?
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole has a molecular weight of 625.77 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 170038803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).