7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine

C67H41NOS — CID 122504074

IUPAC7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5c3sc3c(-c6cccc7c6oc6ccccc67)cccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C67H41NOS/c1-3-17-42(18-4-1)44-33-37-46(38-34-44)68(47-39-35-45(36-40-47)43-19-5-2-6-20-43)60-41-59-62(54-24-9-13-31-58(54)67(59)56-29-11-7-21-48(56)49-22-8-12-30-57(49)67)63-55-28-16-27-53(65(55)70-66(60)63)52-26-15-25-51-50-23-10-14-32-61(50)69-64(51)52/h1-41H
InChIKeyFFQPVOJXUIKHRC-UHFFFAOYSA-N
MW908.14 g/mol
LogP18.77
Rot. Bonds6

About 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine

7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine (PubChem CID 122504074) has the molecular formula C67H41NOS and a molecular weight of 908.14 g/mol. Its IUPAC name is 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine.

Molecular Properties

Compound Name7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
PubChem CID122504074
Molecular FormulaC67H41NOS
Molecular Weight908.14 g/mol
Exact Mass907.29
IUPAC Name7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5c3sc3c(-c6cccc7c6oc6ccccc67)cccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C67H41NOS/c1-3-17-42(18-4-1)44-33-37-46(38-34-44)68(47-39-35-45(36-40-47)43-19-5-2-6-20-43)60-41-59-62(54-24-9-13-31-58(54)67(59)56-29-11-7-21-48(56)49-22-8-12-30-57(49)67)63-55-28-16-27-53(65(55)70-66(60)63)52-26-15-25-51-50-23-10-14-32-61(50)69-64(51)52/h1-41H
InChIKeyFFQPVOJXUIKHRC-UHFFFAOYSA-N
XLogP18.77
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.14
LogP ≤ 518.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine with MolForge

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Related Compounds

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325270
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-[4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 139556418
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-(5-dibenzofuran-4-yl-2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267145
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
2'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 134195004
N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285759
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
The IUPAC name of 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine (CID 122504074) is 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine.
What is the SMILES notation for 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
The canonical SMILES for 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5c3sc3c(-c6cccc7c6oc6ccccc67)cccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
The InChIKey is FFQPVOJXUIKHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NOS/c1-3-17-42(18-4-1)44-33-37-46(38-34-44)68(47-39-35-45(36-40-47)43-19-5-2-6-20-43)60-41-59-62(54-24-9-13-31-58(54)67(59)56-29-11-7-21-48(56)49-22-8-12-30-57(49)67)63-55-28-16-27-53(65(55)70-66(60)63)52-26-15-25-51-50-23-10-14-32-61(50)69-64(51)52/h1-41H.
What are the key properties of 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine?
7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine has a molecular weight of 908.14 g/mol, XLogP of 18.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)spiro[9-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3(8),4,6,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine is sourced from PubChem (CID 122504074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).