11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole

C47H29NO — CID 170037998

IUPAC11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C47H29NO/c1-2-12-34-31(11-1)23-27-38-37-15-5-9-19-43(37)48(46(34)38)33-25-21-30(22-26-33)32-24-28-45-42(29-32)47(41-18-8-10-20-44(41)49-45)39-16-6-3-13-35(39)36-14-4-7-17-40(36)47/h1-29H
InChIKeyDATLALXCUCVBQE-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.07
Rot. Bonds2

About 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole

11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole (PubChem CID 170037998) has the molecular formula C47H29NO and a molecular weight of 623.76 g/mol. Its IUPAC name is 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole.

Molecular Properties

Compound Name11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
PubChem CID170037998
Molecular FormulaC47H29NO
Molecular Weight623.76 g/mol
Exact Mass623.22
IUPAC Name11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C47H29NO/c1-2-12-34-31(11-1)23-27-38-37-15-5-9-19-43(37)48(46(34)38)33-25-21-30(22-26-33)32-24-28-45-42(29-32)47(41-18-8-10-20-44(41)49-45)39-16-6-3-13-35(39)36-14-4-7-17-40(36)47/h1-29H
InChIKeyDATLALXCUCVBQE-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-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
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
7-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[c]carbazole
CID 170042086
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120
7-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038803
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
3-phenyl-12-[4-(3-phenylcarbazol-9-yl)phenyl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 118614731
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',8,11-triphenylspiro[indeno[2,1-a]carbazole-12,9'-xanthene]
CID 129133135

Frequently Asked Questions

What is the IUPAC name of 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole?
The IUPAC name of 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole (CID 170037998) is 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole.
What is the SMILES notation for 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole?
The canonical SMILES for 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole is c1ccc2c(c1)Oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6ccccc6c54)cc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole?
The InChIKey is DATLALXCUCVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29NO/c1-2-12-34-31(11-1)23-27-38-37-15-5-9-19-43(37)48(46(34)38)33-25-21-30(22-26-33)32-24-28-45-42(29-32)47(41-18-8-10-20-44(41)49-45)39-16-6-3-13-35(39)36-14-4-7-17-40(36)47/h1-29H.
What are the key properties of 11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole?
11-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[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-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)benzo[a]carbazole is sourced from PubChem (CID 170037998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).