10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine

C59H37NO — CID 170675127

IUPAC10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5c6ccccc6ccc45)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H37NO/c1-3-15-38(16-4-1)39-27-30-42(31-28-39)60(55-36-35-50-49-33-29-40-17-7-8-20-44(40)57(49)61-58(50)56(55)41-18-5-2-6-19-41)43-32-34-48-47-23-11-14-26-53(47)59(54(48)37-43)51-24-12-9-21-45(51)46-22-10-13-25-52(46)59/h1-37H
InChIKeyOIOBZPQSYHZKQE-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.89
Rot. Bonds5

About 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine

10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 170675127) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID170675127
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC Name10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5c6ccccc6ccc45)c3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H37NO/c1-3-15-38(16-4-1)39-27-30-42(31-28-39)60(55-36-35-50-49-33-29-40-17-7-8-20-44(40)57(49)61-58(50)56(55)41-18-5-2-6-19-41)43-32-34-48-47-23-11-14-26-53(47)59(54(48)37-43)51-24-12-9-21-45(51)46-22-10-13-25-52(46)59/h1-37H
InChIKeyOIOBZPQSYHZKQE-UHFFFAOYSA-N
XLogP15.89
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.95
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,8-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675516
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 135277308
2-N,2-N'-diphenyl-2-N-(1-phenylnaphthalen-2-yl)-2-N'-[1-(4-phenylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 176633832
N,19-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 171433025
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177121378
N-(9,9-diphenylfluoren-2-yl)-N,8-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 170675305
N,N-diphenyl-10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675548
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156558424
N-naphthalen-2-yl-5,10-diphenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167253410

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine (CID 170675127) is 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5c6ccccc6ccc45)c3-c3ccccc3)cc2)cc1.
What is the InChIKey of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is OIOBZPQSYHZKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-3-15-38(16-4-1)39-27-30-42(31-28-39)60(55-36-35-50-49-33-29-40-17-7-8-20-44(40)57(49)61-58(50)56(55)41-18-5-2-6-19-41)43-32-34-48-47-23-11-14-26-53(47)59(54(48)37-43)51-24-12-9-21-45(51)46-22-10-13-25-52(46)59/h1-37H.
What are the key properties of 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine?
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 775.95 g/mol, XLogP of 15.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 170675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).