7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole

C47H29NO — CID 170042086

IUPAC7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C47H29NO/c1-2-13-33(14-3-1)48-42-25-23-31(28-37(42)46-34-15-5-4-12-30(34)22-26-43(46)48)32-24-27-45-41(29-32)47(40-20-10-11-21-44(40)49-45)38-18-8-6-16-35(38)36-17-7-9-19-39(36)47/h1-29H
InChIKeyDZZANUWZGLPMLW-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.07
Rot. Bonds2

About 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole

7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole (PubChem CID 170042086) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
PubChem CID170042086
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C47H29NO/c1-2-13-33(14-3-1)48-42-25-23-31(28-37(42)46-34-15-5-4-12-30(34)22-26-43(46)48)32-24-27-45-41(29-32)47(40-20-10-11-21-44(40)49-45)38-18-8-6-16-35(38)36-17-7-9-19-39(36)47/h1-29H
InChIKeyDZZANUWZGLPMLW-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

12-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 170042206
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
7-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166737834
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
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
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
10-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170043573
7-(3,5-dimethylphenyl)-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370708
7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370703
9,9-diphenyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118282644

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole?
The IUPAC name of 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole (CID 170042086) is 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole.
What is the SMILES notation for 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole?
The canonical SMILES for 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)cc3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole?
The InChIKey is DZZANUWZGLPMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-13-33(14-3-1)48-42-25-23-31(28-37(42)46-34-15-5-4-12-30(34)22-26-43(46)48)32-24-27-45-41(29-32)47(40-20-10-11-21-44(40)49-45)38-18-8-6-16-35(38)36-17-7-9-19-39(36)47/h1-29H.
What are the key properties of 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole?
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]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 7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole is sourced from PubChem (CID 170042086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).