7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine

C67H45NO — CID 171401986

IUPAC7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c5c(cc6oc7ccccc7c46)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccccc6)ccc4-5)cc3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-6-18-46(19-7-1)49-30-32-50(33-31-49)52-36-41-57(42-37-52)68(56-39-34-51(35-40-56)47-20-8-2-9-21-47)66-64-58-43-38-53(48-22-10-3-11-23-48)44-60(58)67(54-24-12-4-13-25-54,55-26-14-5-15-27-55)61(64)45-63-65(66)59-28-16-17-29-62(59)69-63/h1-45H
InChIKeyXQRBTBLYSXFUDF-UHFFFAOYSA-N
MW880.10 g/mol
LogP18.09
Rot. Bonds9

About 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine

7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine (PubChem CID 171401986) has the molecular formula C67H45NO and a molecular weight of 880.10 g/mol. Its IUPAC name is 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine.

Molecular Properties

Compound Name7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
PubChem CID171401986
Molecular FormulaC67H45NO
Molecular Weight880.10 g/mol
Exact Mass879.35
IUPAC Name7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c5c(cc6oc7ccccc7c46)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccccc6)ccc4-5)cc3)cc2)cc1
InChIInChI=1S/C67H45NO/c1-6-18-46(19-7-1)49-30-32-50(33-31-49)52-36-41-57(42-37-52)68(56-39-34-51(35-40-56)47-20-8-2-9-21-47)66-64-58-43-38-53(48-22-10-3-11-23-48)44-60(58)67(54-24-12-4-13-25-54,55-26-14-5-15-27-55)61(64)45-63-65(66)59-28-16-17-29-62(59)69-63/h1-45H
InChIKeyXQRBTBLYSXFUDF-UHFFFAOYSA-N
XLogP18.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.10
LogP ≤ 518.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine with MolForge

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Related Compounds

N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401514
N-(9,9-dimethylfluoren-2-yl)-N,2,7,7-tetraphenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401773
N-(4-dibenzofuran-3-ylphenyl)-7,9-diphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 163834349
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
4-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylaniline
CID 67964130
N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
CID 171401702
2,3-ditert-butyl-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 177067783
7,7-dimethyl-N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine
CID 171402122
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
CID 171402013
N,10-diphenyl-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304168

Frequently Asked Questions

What is the IUPAC name of 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
The IUPAC name of 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine (CID 171401986) is 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine.
What is the SMILES notation for 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
The canonical SMILES for 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4c5c(cc6oc7ccccc7c46)C(c4ccccc4)(c4ccccc4)c4cc(-c6ccccc6)ccc4-5)cc3)cc2)cc1.
What is the InChIKey of 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
The InChIKey is XQRBTBLYSXFUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NO/c1-6-18-46(19-7-1)49-30-32-50(33-31-49)52-36-41-57(42-37-52)68(56-39-34-51(35-40-56)47-20-8-2-9-21-47)66-64-58-43-38-53(48-22-10-3-11-23-48)44-60(58)67(54-24-12-4-13-25-54,55-26-14-5-15-27-55)61(64)45-63-65(66)59-28-16-17-29-62(59)69-63/h1-45H.
What are the key properties of 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine?
7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine has a molecular weight of 880.10 g/mol, XLogP of 18.09, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-triphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-12-amine is sourced from PubChem (CID 171401986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).