N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine

C60H39NO2 — CID 129130346

IUPACN-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine
SMILESCc1ccccc1N(c1ccc2cc(-c3ccccc3)ccc2c1)c1cc2c(c3oc4ccccc4c13)-c1c(ccc3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H39NO2/c1-38-17-11-14-26-51(38)61(45-32-31-41-35-40(29-30-42(41)36-45)39-18-5-2-6-19-39)52-37-50-57(59-55(52)48-25-13-16-28-54(48)63-59)56-49(34-33-47-46-24-12-15-27-53(46)62-58(47)56)60(50,43-20-7-3-8-21-43)44-22-9-4-10-23-44/h2-37H,1H3
InChIKeyIJJMCRYNDVERCW-UHFFFAOYSA-N
MW805.98 g/mol
LogP16.45
Rot. Bonds6

About N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine

N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine (PubChem CID 129130346) has the molecular formula C60H39NO2 and a molecular weight of 805.98 g/mol. Its IUPAC name is N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine
PubChem CID129130346
Molecular FormulaC60H39NO2
Molecular Weight805.98 g/mol
Exact Mass805.30
IUPAC NameN-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine
SMILESCc1ccccc1N(c1ccc2cc(-c3ccccc3)ccc2c1)c1cc2c(c3oc4ccccc4c13)-c1c(ccc3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H39NO2/c1-38-17-11-14-26-51(38)61(45-32-31-41-35-40(29-30-42(41)36-45)39-18-5-2-6-19-39)52-37-50-57(59-55(52)48-25-13-16-28-54(48)63-59)56-49(34-33-47-46-24-12-15-27-53(46)62-58(47)56)60(50,43-20-7-3-8-21-43)44-22-9-4-10-23-44/h2-37H,1H3
InChIKeyIJJMCRYNDVERCW-UHFFFAOYSA-N
XLogP16.45
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.98
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine with MolForge

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Related Compounds

N-(2-methylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166032551
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608
3-methyl-N-(2-methyl-5-phenylphenyl)-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166031670
7-[3-[12,18-bis(N-(6-tert-butyldibenzofuran-4-yl)anilino)-15-phenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaen-15-yl]phenyl]-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4(9),5,7,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 167275392
8-N,23-N-bis(2-methylphenyl)-8-N,23-N-bis(2-methyl-4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362655
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 146251247
N-(4,11-diphenyl-19-hexacyclo[12.10.0.03,12.05,10.015,24.017,22]tetracosa-1,3,5,7,9,11,13,15(24),16,18,20,22-dodecaenyl)-N-(2-methylphenyl)dibenzofuran-4-amine
CID 166031701
12-N,18-N-bis(6-tert-butyldibenzofuran-4-yl)-12-N,18-N,15,15-tetraphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(3-methylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N,15,15-hexakis-phenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N,15,15-tetraphenyl-12-N,18-N-bis(6-phenyldibenzofuran-4-yl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163677288
N-dibenzofuran-2-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;N-dibenzofuran-4-yl-7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-dimethyl-N-phenanthren-2-yl-N-phenylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-naphthalen-2-ylphenyl)-N,7,7-triphenylfluoreno[5,6-b][1]benzofuran-9-amine
CID 165102983
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N-bis(2-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(4-propan-2-ylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15,15-diphenyl-12-N,12-N,18-N,18-N-tetrakis(3,4,5-trimethylphenyl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine;12-N,12-N,18-N,18-N-tetrakis(4-methylphenyl)-15,15-diphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 159115868
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435129

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine?
The IUPAC name of N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine (CID 129130346) is N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine.
What is the SMILES notation for N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine?
The canonical SMILES for N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine is Cc1ccccc1N(c1ccc2cc(-c3ccccc3)ccc2c1)c1cc2c(c3oc4ccccc4c13)-c1c(ccc3c1oc1ccccc13)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine?
The InChIKey is IJJMCRYNDVERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NO2/c1-38-17-11-14-26-51(38)61(45-32-31-41-35-40(29-30-42(41)36-45)39-18-5-2-6-19-39)52-37-50-57(59-55(52)48-25-13-16-28-54(48)63-59)56-49(34-33-47-46-24-12-15-27-53(46)62-58(47)56)60(50,43-20-7-3-8-21-43)44-22-9-4-10-23-44/h2-37H,1H3.
What are the key properties of N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine?
N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine has a molecular weight of 805.98 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-15,15-diphenyl-N-(6-phenylnaphthalen-2-yl)-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaen-12-amine is sourced from PubChem (CID 129130346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).