N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine

C50H39NO — CID 155393695

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4ccccc4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H39NO/c1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-21-45-44-10-4-6-12-48(44)52-49(45)29-36)41-20-22-43-42-9-3-5-11-46(42)50(47(43)30-41)37-24-31-23-32(26-37)27-38(50)25-31/h1-22,28-32,37-38H,23-27H2
InChIKeyKSPPGYSALABZAT-UHFFFAOYSA-N
MW669.87 g/mol
LogP13.60
Rot. Bonds4

About N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine

N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine (PubChem CID 155393695) has the molecular formula C50H39NO and a molecular weight of 669.87 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
PubChem CID155393695
Molecular FormulaC50H39NO
Molecular Weight669.87 g/mol
Exact Mass669.30
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4ccccc4c3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C50H39NO/c1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-21-45-44-10-4-6-12-48(44)52-49(45)29-36)41-20-22-43-42-9-3-5-11-46(42)50(47(43)30-41)37-24-31-23-32(26-37)27-38(50)25-31/h1-22,28-32,37-38H,23-27H2
InChIKeyKSPPGYSALABZAT-UHFFFAOYSA-N
XLogP13.60
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 155399634
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573683
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 163873104
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393603
N-dibenzofuran-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine;N-(3-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzofuran-3-amine
CID 159274330
N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 156573602
N-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567778
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-phenanthren-2-yl-N-phenylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 155399590
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine (CID 155393695) is N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine is c1ccc2c(c1)-c1ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4ccccc4c3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
The InChIKey is KSPPGYSALABZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO/c1-2-8-35-28-40(19-15-33(35)7-1)51(39-17-13-34(14-18-39)36-16-21-45-44-10-4-6-12-48(44)52-49(45)29-36)41-20-22-43-42-9-3-5-11-46(42)50(47(43)30-41)37-24-31-23-32(26-37)27-38(50)25-31/h1-22,28-32,37-38H,23-27H2.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine has a molecular weight of 669.87 g/mol, XLogP of 13.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 155393695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).