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

C51H31NO — CID 170042206

IUPAC12-(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
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C51H31NO/c1-2-13-35-31-47-41(29-34(35)12-1)50-38-14-4-3-11-33(38)23-27-46(50)52(47)37-25-21-32(22-26-37)36-24-28-49-45(30-36)51(44-19-9-10-20-48(44)53-49)42-17-7-5-15-39(42)40-16-6-8-18-43(40)51/h1-31H
InChIKeyPIDWBXDREXJSMN-UHFFFAOYSA-N
MW673.82 g/mol
LogP13.23
Rot. Bonds2

About 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

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 (PubChem CID 170042206) has the molecular formula C51H31NO and a molecular weight of 673.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-(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
PubChem CID170042206
Molecular FormulaC51H31NO
Molecular Weight673.82 g/mol
Exact Mass673.24
IUPAC Name12-(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
SMILESc1ccc2c(c1)Oc1ccc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)cc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C51H31NO/c1-2-13-35-31-47-41(29-34(35)12-1)50-38-14-4-3-11-33(38)23-27-46(50)52(47)37-25-21-32(22-26-37)36-24-28-49-45(30-36)51(44-19-9-10-20-48(44)53-49)42-17-7-5-15-39(42)40-16-6-8-18-43(40)51/h1-31H
InChIKeyPIDWBXDREXJSMN-UHFFFAOYSA-N
XLogP13.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
12-[4-[4-(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]phenyl]-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 170044544
25-dibenzofuran-3-yl-19-[6-(4-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-ylphenyl)naphthalen-1-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16(21),17,19,22-undecaene-11,9'-fluorene]
CID 149087108
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-[4-(9,9-dimethylxanthen-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 170042625
5-phenyl-10-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[b]carbazole
CID 170038082
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
7-[4-[3-(3,5-dimethylphenyl)-5-phenylphenyl]phenyl]-10-(9,9'-spirobi[fluorene]-2-yl)benzo[c]carbazole
CID 134370703
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)Oc1ccc(-c3ccc(-n4c5cc6ccccc6cc5c5c6ccccc6ccc54)cc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is PIDWBXDREXJSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NO/c1-2-13-35-31-47-41(29-34(35)12-1)50-38-14-4-3-11-33(38)23-27-46(50)52(47)37-25-21-32(22-26-37)36-24-28-49-45(30-36)51(44-19-9-10-20-48(44)53-49)42-17-7-5-15-39(42)40-16-6-8-18-43(40)51/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 673.82 g/mol, XLogP of 13.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170042206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).