N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine

C53H41NO — CID 155394000

IUPACN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4(C6)C7C5)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C53H41NO/c1-2-8-34(9-3-1)35-14-19-40(20-15-35)54(42-23-25-46-45-11-5-7-13-50(45)55-51(46)30-42)41-21-16-36(17-22-41)37-18-24-44-43-10-4-6-12-47(43)53(49(44)28-37)39-27-33-26-38-32-52(53,31-33)48(38)29-39/h1-25,28,30,33,38-39,48H,26-27,29,31-32H2
InChIKeyAQAIDGSTSFYRQR-UHFFFAOYSA-N
MW707.92 g/mol
LogP14.11
Rot. Bonds5

About N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine

N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine (PubChem CID 155394000) has the molecular formula C53H41NO and a molecular weight of 707.92 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
PubChem CID155394000
Molecular FormulaC53H41NO
Molecular Weight707.92 g/mol
Exact Mass707.32
IUPAC NameN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4(C6)C7C5)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C53H41NO/c1-2-8-34(9-3-1)35-14-19-40(20-15-35)54(42-23-25-46-45-11-5-7-13-50(45)55-51(46)30-42)41-21-16-36(17-22-41)37-18-24-44-43-10-4-6-12-47(43)53(49(44)28-37)39-27-33-26-38-32-52(53,31-33)48(38)29-39/h1-25,28,30,33,38-39,48H,26-27,29,31-32H2
InChIKeyAQAIDGSTSFYRQR-UHFFFAOYSA-N
XLogP14.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-dibenzofuran-3-yl-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402238
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
CID 170085152
N-[4-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 70808654
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 168771541
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 121400570

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine (CID 155394000) is N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC7CC4(C6)C7C5)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?
The InChIKey is AQAIDGSTSFYRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41NO/c1-2-8-34(9-3-1)35-14-19-40(20-15-35)54(42-23-25-46-45-11-5-7-13-50(45)55-51(46)30-42)41-21-16-36(17-22-41)37-18-24-44-43-10-4-6-12-47(43)53(49(44)28-37)39-27-33-26-38-32-52(53,31-33)48(38)29-39/h1-25,28,30,33,38-39,48H,26-27,29,31-32H2.
What are the key properties of N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine?
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine has a molecular weight of 707.92 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,11'-tetracyclo[4.3.1.11,4.02,8]undecane]-2-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 155394000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).