(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine

C47H31NO2 — CID 138582797

IUPAC(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine
SMILESc1ccc2c(c#1)-c1cc3c(cc1C21c2ccccc2-c2ccccc21)O[C@@H]1C=CC=C(N(C2=CC=CCC2)c2cccc4ccccc24)C1O3
InChIInChI=1S/C47H31NO2/c1-2-16-31(17-3-1)48(41-25-12-15-30-14-4-5-18-32(30)41)42-26-13-27-43-46(42)50-44-28-36-35-21-8-11-24-39(35)47(40(36)29-45(44)49-43)37-22-9-6-19-33(37)34-20-7-10-23-38(34)47/h1-2,4-7,9-16,18-20,22-29,43,46H,3,17H2/t43-,46?/m1/s1
InChIKeyGYERBJAHGSNSPB-SHYYGZOJSA-N
MW641.77 g/mol
LogP10.49
Rot. Bonds3

About (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine

(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine (PubChem CID 138582797) has the molecular formula C47H31NO2 and a molecular weight of 641.77 g/mol. Its IUPAC name is (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine.

Molecular Properties

Compound Name(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine
PubChem CID138582797
Molecular FormulaC47H31NO2
Molecular Weight641.77 g/mol
Exact Mass641.24
IUPAC Name(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine
SMILESc1ccc2c(c#1)-c1cc3c(cc1C21c2ccccc2-c2ccccc21)O[C@@H]1C=CC=C(N(C2=CC=CCC2)c2cccc4ccccc24)C1O3
InChIInChI=1S/C47H31NO2/c1-2-16-31(17-3-1)48(41-25-12-15-30-14-4-5-18-32(30)41)42-26-13-27-43-46(42)50-44-28-36-35-21-8-11-24-39(35)47(40(36)29-45(44)49-43)37-22-9-6-19-33(37)34-20-7-10-23-38(34)47/h1-2,4-7,9-16,18-20,22-29,43,46H,3,17H2/t43-,46?/m1/s1
InChIKeyGYERBJAHGSNSPB-SHYYGZOJSA-N
XLogP10.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaene-10,9'-fluorene]-16-amine
CID 138583047
N-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-1-ylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine
CID 138581336
(15R)-N-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,16,18-octaene-10,9'-fluorene]-18-amine
CID 138581919
N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine
CID 138582560
N-[4-(5-methylidyne-1,2-dihydrodibenzothiophen-3-yl)cyclohexa-1,3-dien-1-yl]-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,16,18-octaene]-16'-ylaniline
CID 138582629
N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 167293388
N-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-18-amine
CID 138581498
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine
CID 134551139
N-naphthalen-1-yl-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 134551135
N-cyclohexa-1,3-dien-1-yl-4-naphtho[2,1-b][1]benzofuran-3-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 126701115

Frequently Asked Questions

What is the IUPAC name of (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine?
The IUPAC name of (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine (CID 138582797) is (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine.
What is the SMILES notation for (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine?
The canonical SMILES for (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine is c1ccc2c(c#1)-c1cc3c(cc1C21c2ccccc2-c2ccccc21)O[C@@H]1C=CC=C(N(C2=CC=CCC2)c2cccc4ccccc24)C1O3.
What is the InChIKey of (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine?
The InChIKey is GYERBJAHGSNSPB-SHYYGZOJSA-N. The full InChI is InChI=1S/C47H31NO2/c1-2-16-31(17-3-1)48(41-25-12-15-30-14-4-5-18-32(30)41)42-26-13-27-43-46(42)50-44-28-36-35-21-8-11-24-39(35)47(40(36)29-45(44)49-43)37-22-9-6-19-33(37)34-20-7-10-23-38(34)47/h1-2,4-7,9-16,18-20,22-29,43,46H,3,17H2/t43-,46?/m1/s1.
What are the key properties of (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine?
(15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine has a molecular weight of 641.77 g/mol, XLogP of 10.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-N-cyclohexa-1,3-dien-1-yl-N-naphthalen-1-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),7,11,16,18-heptaen-5-yne-10,9'-fluorene]-19-amine is sourced from PubChem (CID 138582797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).