4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

C59H37NO — CID 135277308

IUPAC4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5ccccc54)c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C59H37NO/c1-2-14-38(15-3-1)40-28-30-43(31-29-40)60(55-35-34-50-49-21-9-13-25-56(49)61-58(50)57(55)42-27-26-39-16-4-5-17-41(39)36-42)44-32-33-48-47-20-8-12-24-53(47)59(54(48)37-44)51-22-10-6-18-45(51)46-19-7-11-23-52(46)59/h1-37H
InChIKeyPGHSFPCGPKQVPU-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.89
Rot. Bonds5

About 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (PubChem CID 135277308) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
PubChem CID135277308
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC Name4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5ccccc54)c3-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C59H37NO/c1-2-14-38(15-3-1)40-28-30-43(31-29-40)60(55-35-34-50-49-21-9-13-25-56(49)61-58(50)57(55)42-27-26-39-16-4-5-17-41(39)36-42)44-32-33-48-47-20-8-12-24-53(47)59(54(48)37-44)51-22-10-6-18-45(51)46-19-7-11-23-52(46)59/h1-37H
InChIKeyPGHSFPCGPKQVPU-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-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;9,9-dimethyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-4-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;9,9-diphenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(4-phenyldibenzofuran-3-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 163559135
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675127
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 160597772
4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 169022143
N-(2,3-dinaphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177097029
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 170535955
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-(4-naphthalen-2-yldibenzofuran-3-yl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine;4-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine;4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163832190
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159
N-(7,7-dimethylbenzo[c]fluoren-5-yl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-10'-amine;N-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-amine
CID 165108613
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121383308
N,6-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295352

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The IUPAC name of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine (CID 135277308) is 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccc4c(oc5ccccc54)c3-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
The InChIKey is PGHSFPCGPKQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-2-14-38(15-3-1)40-28-30-43(31-29-40)60(55-35-34-50-49-21-9-13-25-56(49)61-58(50)57(55)42-27-26-39-16-4-5-17-41(39)36-42)44-32-33-48-47-20-8-12-24-53(47)59(54(48)37-44)51-22-10-6-18-45(51)46-19-7-11-23-52(46)59/h1-37H.
What are the key properties of 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine?
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-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 4-naphthalen-2-yl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 135277308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).