N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine

C56H42N2O — CID 158040152

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc3ccccc23)c2ccc3c4c2c2ccccc2n4-c2ccccc2C32C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C56H42N2O/c1-2-16-41-36(12-1)13-10-24-48(41)57(40-15-9-14-37(33-40)42-19-11-20-44-43-17-4-8-25-52(43)59-55(42)44)51-27-26-47-54-53(51)45-18-3-6-22-49(45)58(54)50-23-7-5-21-46(50)56(47)38-29-34-28-35(31-38)32-39(56)30-34/h1-27,33-35,38-39H,28-32H2
InChIKeyXPUVSSOIMBSVMU-UHFFFAOYSA-N
MW758.97 g/mol
LogP15.03
Rot. Bonds4

About N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine

N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine (PubChem CID 158040152) has the molecular formula C56H42N2O and a molecular weight of 758.97 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
PubChem CID158040152
Molecular FormulaC56H42N2O
Molecular Weight758.97 g/mol
Exact Mass758.33
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc3ccccc23)c2ccc3c4c2c2ccccc2n4-c2ccccc2C32C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C56H42N2O/c1-2-16-41-36(12-1)13-10-24-48(41)57(40-15-9-14-37(33-40)42-19-11-20-44-43-17-4-8-25-52(43)59-55(42)44)51-27-26-47-54-53(51)45-18-3-6-22-49(45)58(54)50-23-7-5-21-46(50)56(47)38-29-34-28-35(31-38)32-39(56)30-34/h1-27,33-35,38-39H,28-32H2
InChIKeyXPUVSSOIMBSVMU-UHFFFAOYSA-N
XLogP15.03
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine with MolForge

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-amine
CID 158198102
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 157218624
N-(3-dibenzothiophen-4-ylphenyl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 158040151
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573768
9-[2-(2-adamantyl)phenyl]-1-methyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-4-amine;N,N-bis(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine;N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine
CID 158992270
CID 159290287
CID 159290287
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
N-[3-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 139544547
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737618
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-phenylaniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-3-(4-phenylphenyl)aniline;N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159361704
N-[2-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-4-ylphenyl)naphthalen-2-amine
CID 139544943
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 167234338

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine (CID 158040152) is N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cccc3ccccc23)c2ccc3c4c2c2ccccc2n4-c2ccccc2C32C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
The InChIKey is XPUVSSOIMBSVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2O/c1-2-16-41-36(12-1)13-10-24-48(41)57(40-15-9-14-37(33-40)42-19-11-20-44-43-17-4-8-25-52(43)59-55(42)44)51-27-26-47-54-53(51)45-18-3-6-22-49(45)58(54)50-23-7-5-21-46(50)56(47)38-29-34-28-35(31-38)32-39(56)30-34/h1-27,33-35,38-39H,28-32H2.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine has a molecular weight of 758.97 g/mol, XLogP of 15.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene-13,2'-adamantane]-9-amine is sourced from PubChem (CID 158040152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).