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

C41H25NO — CID 170038206

IUPAC11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
SMILESc1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C41H25NO/c1-2-12-28-26(11-1)21-23-32-31-15-5-9-19-37(31)42(40(28)32)27-22-24-39-36(25-27)41(35-18-8-10-20-38(35)43-39)33-16-6-3-13-29(33)30-14-4-7-17-34(30)41/h1-25H
InChIKeyVHAGYSFYMMWNJF-UHFFFAOYSA-N
MW547.66 g/mol
LogP10.41
Rot. Bonds1

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

11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole (PubChem CID 170038206) has the molecular formula C41H25NO and a molecular weight of 547.66 g/mol. Its IUPAC name is 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole.

Molecular Properties

Compound Name11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
PubChem CID170038206
Molecular FormulaC41H25NO
Molecular Weight547.66 g/mol
Exact Mass547.19
IUPAC Name11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
SMILESc1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C41H25NO/c1-2-12-28-26(11-1)21-23-32-31-15-5-9-19-37(31)42(40(28)32)27-22-24-39-36(25-27)41(35-18-8-10-20-38(35)43-39)33-16-6-3-13-29(33)30-14-4-7-17-34(30)41/h1-25H
InChIKeyVHAGYSFYMMWNJF-UHFFFAOYSA-N
XLogP10.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.66
LogP ≤ 510.41
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
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
12-triphenylen-2-ylspiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614900
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038803
12-naphthalen-2-ylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
CID 134555374
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
5,15-diphenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 118614743
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
7-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166737834
2'-carbazol-9-ylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 146654397
CID 134551786
CID 134551786

Frequently Asked Questions

What is the IUPAC name of 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
The IUPAC name of 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole (CID 170038206) is 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole.
What is the SMILES notation for 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
The canonical SMILES for 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole is c1ccc2c(c1)Oc1ccc(-n3c4ccccc4c4ccc5ccccc5c43)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
The InChIKey is VHAGYSFYMMWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO/c1-2-12-28-26(11-1)21-23-32-31-15-5-9-19-37(31)42(40(28)32)27-22-24-39-36(25-27)41(35-18-8-10-20-38(35)43-39)33-16-6-3-13-29(33)30-14-4-7-17-34(30)41/h1-25H.
What are the key properties of 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole?
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole has a molecular weight of 547.66 g/mol, XLogP of 10.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole is sourced from PubChem (CID 170038206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).