N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine

C47H34N2O — CID 144661949

IUPACN-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine
SMILESCC1(C)c2cc(N(c3cccc4c3C=CCC4)c3cccc4ccccc34)ccc2-n2c3ccccc3c3c4oc5ccccc5c4cc1c32
InChIInChI=1S/C47H34N2O/c1-47(2)37-27-31(48(39-22-11-15-29-13-3-5-17-32(29)39)40-23-12-16-30-14-4-6-18-33(30)40)25-26-42(37)49-41-21-9-7-20-35(41)44-45(49)38(47)28-36-34-19-8-10-24-43(34)50-46(36)44/h3,5-13,15-28H,4,14H2,1-2H3
InChIKeyYMFFSXMMDHVXFF-UHFFFAOYSA-N
MW642.80 g/mol
LogP12.90
Rot. Bonds3

About N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine

N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine (PubChem CID 144661949) has the molecular formula C47H34N2O and a molecular weight of 642.80 g/mol. Its IUPAC name is N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine.

Molecular Properties

Compound NameN-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine
PubChem CID144661949
Molecular FormulaC47H34N2O
Molecular Weight642.80 g/mol
Exact Mass642.27
IUPAC NameN-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine
SMILESCC1(C)c2cc(N(c3cccc4c3C=CCC4)c3cccc4ccccc34)ccc2-n2c3ccccc3c3c4oc5ccccc5c4cc1c32
InChIInChI=1S/C47H34N2O/c1-47(2)37-27-31(48(39-22-11-15-29-13-3-5-17-32(29)39)40-23-12-16-30-14-4-6-18-33(30)40)25-26-42(37)49-41-21-9-7-20-35(41)44-45(49)38(47)28-36-34-19-8-10-24-43(34)50-46(36)44/h3,5-13,15-28H,4,14H2,1-2H3
InChIKeyYMFFSXMMDHVXFF-UHFFFAOYSA-N
XLogP12.90
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.80
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-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-[4-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19(24),20,22-dodecaen-21-yl)phenyl]-N,4-diphenylaniline
CID 90270055
N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine
CID 70885802
6-(15,15-dimethyl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-11-yl)-N,N-diphenylpyridin-3-amine
CID 90270087
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
CID 146481926
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;methane;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161439456
2-N-[3-(1,3-benzoxazol-2-yl)phenyl]-7-N-[3-(6,7-dihydro-1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine
CID 155478018
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
1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 88873467
4-(2-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 176608294
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine?
The IUPAC name of N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine (CID 144661949) is N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine.
What is the SMILES notation for N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine?
The canonical SMILES for N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine is CC1(C)c2cc(N(c3cccc4c3C=CCC4)c3cccc4ccccc34)ccc2-n2c3ccccc3c3c4oc5ccccc5c4cc1c32.
What is the InChIKey of N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine?
The InChIKey is YMFFSXMMDHVXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2O/c1-47(2)37-27-31(48(39-22-11-15-29-13-3-5-17-32(29)39)40-23-12-16-30-14-4-6-18-33(30)40)25-26-42(37)49-41-21-9-7-20-35(41)44-45(49)38(47)28-36-34-19-8-10-24-43(34)50-46(36)44/h3,5-13,15-28H,4,14H2,1-2H3.
What are the key properties of N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine?
N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine has a molecular weight of 642.80 g/mol, XLogP of 12.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydronaphthalen-1-yl)-15,15-dimethyl-N-naphthalen-1-yl-25-oxa-8-azaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9(14),10,12,16(27),17,19,21,23-dodecaen-12-amine is sourced from PubChem (CID 144661949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).