11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole

C47H29NO — CID 170037885

IUPAC11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C47H29NO/c1-2-13-33(14-3-1)48-43-26-23-31(28-38(43)37-25-22-30-12-4-5-15-34(30)46(37)48)32-24-27-45-42(29-32)47(41-20-10-11-21-44(41)49-45)39-18-8-6-16-35(39)36-17-7-9-19-40(36)47/h1-29H
InChIKeyYJGUSSYGPTXBHB-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.07
Rot. Bonds2

About 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole

11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole (PubChem CID 170037885) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
PubChem CID170037885
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C47H29NO/c1-2-13-33(14-3-1)48-43-26-23-31(28-38(43)37-25-22-30-12-4-5-15-34(30)46(37)48)32-24-27-45-42(29-32)47(41-20-10-11-21-44(41)49-45)39-18-8-6-16-35(39)36-17-7-9-19-40(36)47/h1-29H
InChIKeyYJGUSSYGPTXBHB-UHFFFAOYSA-N
XLogP12.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
CID 170037998
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
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
2',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
CID 129133135
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038803
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
CID 156559691
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
8-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 177127924

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
The IUPAC name of 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole (CID 170037885) is 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole.
What is the SMILES notation for 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
The canonical SMILES for 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
The InChIKey is YJGUSSYGPTXBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-13-33(14-3-1)48-43-26-23-31(28-38(43)37-25-22-30-12-4-5-15-34(30)46(37)48)32-24-27-45-42(29-32)47(41-20-10-11-21-44(41)49-45)39-18-8-6-16-35(39)36-17-7-9-19-40(36)47/h1-29H.
What are the key properties of 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole has a molecular weight of 623.76 g/mol, XLogP of 12.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole is sourced from PubChem (CID 170037885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).