27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine

C78H52N4O3 — CID 163681589

IUPAC27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine
SMILESC1=Cc2cccc(N(C3=CC4C=C5Oc6c7c(cc8cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc68)Oc6c8c(cc9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)ccc69)OC(=C5N78)C4C=C3)c3ccccc3)c2CC1
InChIInChI=1S/C78H52N4O3/c1-4-25-55(26-5-1)79(67-34-16-22-49-19-10-13-31-61(49)67)58-37-40-64-52(43-58)46-70-73-76(64)84-71-47-53-44-60(81(57-29-8-3-9-30-57)69-36-18-24-51-21-12-15-33-63(51)69)39-42-66(53)78-74(71)82(73)75-72(85-78)48-54-45-59(38-41-65(54)77(75)83-70)80(56-27-6-2-7-28-56)68-35-17-23-50-20-11-14-32-62(50)68/h1-14,16-32,34-48,53,66H,15,33H2
InChIKeyJLHGXSXFMVKKAC-UHFFFAOYSA-N
MW1093.30 g/mol
LogP20.86
Rot. Bonds9

About 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine

27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine (PubChem CID 163681589) has the molecular formula C78H52N4O3 and a molecular weight of 1093.30 g/mol. Its IUPAC name is 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine.

Molecular Properties

Compound Name27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine
PubChem CID163681589
Molecular FormulaC78H52N4O3
Molecular Weight1093.30 g/mol
Exact Mass1092.40
IUPAC Name27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine
SMILESC1=Cc2cccc(N(C3=CC4C=C5Oc6c7c(cc8cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc68)Oc6c8c(cc9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)ccc69)OC(=C5N78)C4C=C3)c3ccccc3)c2CC1
InChIInChI=1S/C78H52N4O3/c1-4-25-55(26-5-1)79(67-34-16-22-49-19-10-13-31-61(49)67)58-37-40-64-52(43-58)46-70-73-76(64)84-71-47-53-44-60(81(57-29-8-3-9-30-57)69-36-18-24-51-21-12-15-33-63(51)69)39-42-66(53)78-74(71)82(73)75-72(85-78)48-54-45-59(38-41-65(54)77(75)83-70)80(56-27-6-2-7-28-56)68-35-17-23-50-20-11-14-32-62(50)68/h1-14,16-32,34-48,53,66H,15,33H2
InChIKeyJLHGXSXFMVKKAC-UHFFFAOYSA-N
XLogP20.86
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.30
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine 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

2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189614
1-N-(7,8-dihydronaphthalen-1-yl)-3-N,3-N-dinaphthalen-1-yl-1-N-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-4-yl)benzene-1,3-diamine
CID 163642989
N-[4-[4-[4-[5,6-dihydronaphthalen-2-yl(naphthalen-1-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 131995520
7-N-naphthalen-1-yl-7-N-phenyl-2-N,2-N-bis(4-phenylphenyl)-9,9a-dihydro-4aH-fluorene-2,7-diamine
CID 58462131
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 158284393
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 159314594
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001
1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
CID 143254534
N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 144907544
N,N-diphenyl-3,4-dihydrochrysen-6-amine
CID 89056693

Frequently Asked Questions

What is the IUPAC name of 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine?
The IUPAC name of 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine (CID 163681589) is 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine.
What is the SMILES notation for 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine?
The canonical SMILES for 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine is C1=Cc2cccc(N(C3=CC4C=C5Oc6c7c(cc8cc(N(c9ccccc9)c9cccc%10ccccc9%10)ccc68)Oc6c8c(cc9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)ccc69)OC(=C5N78)C4C=C3)c3ccccc3)c2CC1.
What is the InChIKey of 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine?
The InChIKey is JLHGXSXFMVKKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N4O3/c1-4-25-55(26-5-1)79(67-34-16-22-49-19-10-13-31-61(49)67)58-37-40-64-52(43-58)46-70-73-76(64)84-71-47-53-44-60(81(57-29-8-3-9-30-57)69-36-18-24-51-21-12-15-33-63(51)69)39-42-66(53)78-74(71)82(73)75-72(85-78)48-54-45-59(38-41-65(54)77(75)83-70)80(56-27-6-2-7-28-56)68-35-17-23-50-20-11-14-32-62(50)68/h1-14,16-32,34-48,53,66H,15,33H2.
What are the key properties of 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine?
27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine has a molecular weight of 1093.30 g/mol, XLogP of 20.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 27-N-(7,8-dihydronaphthalen-1-yl)-7-N,17-N-dinaphthalen-1-yl-7-N,17-N,27-N-triphenyl-12,22,34-trioxa-1-azanonacyclo[19.11.1.13,31.02,11.04,9.013,33.014,19.023,32.024,29]tetratriaconta-2(11),3,5,7,9,13,15,17,19,21(33),23(32),25,27,30-tetradecaene-7,17,27-triamine is sourced from PubChem (CID 163681589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).