N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

C59H37NO — CID 168807381

IUPACN-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4ccc5oc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C59H37NO/c1-2-15-38(16-3-1)39-29-32-41(33-30-39)60(54-27-12-7-21-46(54)47-23-14-17-40-31-36-56-58(57(40)47)48-22-8-13-28-55(48)61-56)42-34-35-53-49(37-42)45-20-6-11-26-52(45)59(53)50-24-9-4-18-43(50)44-19-5-10-25-51(44)59/h1-37H
InChIKeyACMZFQKDLQJZBM-UHFFFAOYSA-N
MW775.95 g/mol
LogP15.89
Rot. Bonds5

About N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine

N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (PubChem CID 168807381) has the molecular formula C59H37NO and a molecular weight of 775.95 g/mol. Its IUPAC name is N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
PubChem CID168807381
Molecular FormulaC59H37NO
Molecular Weight775.95 g/mol
Exact Mass775.29
IUPAC NameN-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4ccc5oc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C59H37NO/c1-2-15-38(16-3-1)39-29-32-41(33-30-39)60(54-27-12-7-21-46(54)47-23-14-17-40-31-36-56-58(57(40)47)48-22-8-13-28-55(48)61-56)42-34-35-53-49(37-42)45-20-6-11-26-52(45)59(53)50-24-9-4-18-43(50)44-19-5-10-25-51(44)59/h1-37H
InChIKeyACMZFQKDLQJZBM-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-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
N-(4-phenylphenyl)-N-(6-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-1-amine
CID 168811960
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
9,9-dimethyl-N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)fluoren-1-amine
CID 168807505
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
N-(9,9-dimethylfluoren-3-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-1-amine
CID 135229908
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
N-dibenzofuran-1-yl-N-(2-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-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-1-amine
CID 130260682
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine (CID 168807381) is N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c3ccccc3-c3cccc4ccc5oc6ccccc6c5c34)cc2)cc1.
What is the InChIKey of N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is ACMZFQKDLQJZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NO/c1-2-15-38(16-3-1)39-29-32-41(33-30-39)60(54-27-12-7-21-46(54)47-23-14-17-40-31-36-56-58(57(40)47)48-22-8-13-28-55(48)61-56)42-34-35-53-49(37-42)45-20-6-11-26-52(45)59(53)50-24-9-4-18-43(50)44-19-5-10-25-51(44)59/h1-37H.
What are the key properties of N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine?
N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-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 N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 168807381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).