N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine

C51H39NO — CID 170085152

IUPACN-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)C3C5)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C51H39NO/c1-3-10-33(11-4-1)35-14-9-15-39(28-35)52(41-19-21-43-42-16-7-8-17-49(42)53-50(43)31-41)40-20-23-47-45(30-40)44-29-36(34-12-5-2-6-13-34)18-22-46(44)51(47)38-25-32-24-37(27-38)48(51)26-32/h1-23,28-32,37-38,48H,24-27H2
InChIKeyJCMXECYOUABQPR-UHFFFAOYSA-N
MW681.88 g/mol
LogP13.72
Rot. Bonds5

About N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine

N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine (PubChem CID 170085152) has the molecular formula C51H39NO and a molecular weight of 681.88 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
PubChem CID170085152
Molecular FormulaC51H39NO
Molecular Weight681.88 g/mol
Exact Mass681.30
IUPAC NameN-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)C3C5)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C51H39NO/c1-3-10-33(11-4-1)35-14-9-15-39(28-35)52(41-19-21-43-42-16-7-8-17-49(42)53-50(43)31-41)40-20-23-47-45(30-40)44-29-36(34-12-5-2-6-13-34)18-22-46(44)51(47)38-25-32-24-37(27-38)48(51)26-32/h1-23,28-32,37-38,48H,24-27H2
InChIKeyJCMXECYOUABQPR-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
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,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387
N-dibenzothiophen-3-yl-N-[4-(5-heptacyclo[10.8.1.114,18.01,16.02,7.08,21.013,20]docosa-2(7),3,5,8(21),9,11-hexaenyl)phenyl]dibenzofuran-3-amine
CID 156573793
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
N-(4-phenylphenyl)-N-[4-[3-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-1-amine;N-(4-phenylphenyl)-N-[4-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[4-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine;N-(4-phenylphenyl)-N-[4-[4-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 163902822
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-dibenzofuran-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;methane
CID 163636207
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine (CID 170085152) is N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)-c3cc(-c5ccccc5)ccc3C43C4CC5CC(C4)C3C5)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine?
The InChIKey is JCMXECYOUABQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39NO/c1-3-10-33(11-4-1)35-14-9-15-39(28-35)52(41-19-21-43-42-16-7-8-17-49(42)53-50(43)31-41)40-20-23-47-45(30-40)44-29-36(34-12-5-2-6-13-34)18-22-46(44)51(47)38-25-32-24-37(27-38)48(51)26-32/h1-23,28-32,37-38,48H,24-27H2.
What are the key properties of N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine?
N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine has a molecular weight of 681.88 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 170085152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).