15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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

C73H52N2O2 — CID 146523128

IUPAC15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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
SMILESCCC1(CC)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccccc1)c1ccc(-c3ccc4ccccc4c3)cc1)c1oc3ccccc3c21
InChIInChI=1S/C73H52N2O2/c1-3-73(4-2)61-46-64(75(56-25-9-6-10-26-56)58-41-37-50(38-42-58)54-34-32-48-20-12-14-22-52(48)44-54)71-68(60-28-16-18-30-66(60)76-71)69(61)70-62(73)45-63(67-59-27-15-17-29-65(59)77-72(67)70)74(55-23-7-5-8-24-55)57-39-35-49(36-40-57)53-33-31-47-19-11-13-21-51(47)43-53/h5-46H,3-4H2,1-2H3
InChIKeyQYBARBWHHXGCIG-UHFFFAOYSA-N
MW989.23 g/mol
LogP21.15
Rot. Bonds10

About 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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

15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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 (PubChem CID 146523128) has the molecular formula C73H52N2O2 and a molecular weight of 989.23 g/mol. Its IUPAC name is 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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.

Molecular Properties

Compound Name15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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
PubChem CID146523128
Molecular FormulaC73H52N2O2
Molecular Weight989.23 g/mol
Exact Mass988.40
IUPAC Name15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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
SMILESCCC1(CC)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccccc1)c1ccc(-c3ccc4ccccc4c3)cc1)c1oc3ccccc3c21
InChIInChI=1S/C73H52N2O2/c1-3-73(4-2)61-46-64(75(56-25-9-6-10-26-56)58-41-37-50(38-42-58)54-34-32-48-20-12-14-22-52(48)44-54)71-68(60-28-16-18-30-66(60)76-71)69(61)70-62(73)45-63(67-59-27-15-17-29-65(59)77-72(67)70)74(55-23-7-5-8-24-55)57-39-35-49(36-40-57)53-33-31-47-19-11-13-21-51(47)43-53/h5-46H,3-4H2,1-2H3
InChIKeyQYBARBWHHXGCIG-UHFFFAOYSA-N
XLogP21.15
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.23
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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 with MolForge

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Related Compounds

12-N-(4-tert-butylphenyl)-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[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-15,9'-fluorene]-12,18-diamine;12-N,18-N-diphenyl-12-N,18-N-bis(4-phenylphenyl)spiro[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-15,9'-fluorene]-12,18-diamine;12-N-naphthalen-2-yl-18-N,18-N-diphenyl-12-N-(4-phenylphenyl)spiro[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-15,9'-fluorene]-12,18-diamine;12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-(4-phenylphenyl)spiro[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-15,9'-fluorene]-12,18-diamine
CID 163642963
12-N-[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-diphenyl-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 138662151
12-N,18-N-bis[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N,18-N-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[4-[7-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-18-N-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-15,15-dimethyl-12-N-phenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 161070593
12-N,18-N,18-N-tris(4-tert-butylphenyl)-12-N-naphthalen-2-ylspiro[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-15,9'-fluorene]-12,18-diamine
CID 162712218
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 163468456
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
15-naphthalen-2-yl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-10,26-dioxa-15-azaheptacyclo[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 147428587
15-[4-(4-tert-butylphenoxy)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-1-yl-12-N,18-N-diphenyl-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;15-[4-(4-tert-butylphenoxy)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-2-yl-12-N,18-N-diphenyl-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;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-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;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-diphenyl-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 163605294
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-naphthalen-2-yl-15,15-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 162712140
4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
15-[4-(4-tert-butylphenoxy)phenyl]-15-(4-tert-butylphenyl)-12-N,12-N,18-N,18-N-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;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-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;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-diphenyl-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 163558695

Frequently Asked Questions

What is the IUPAC name of 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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?
The IUPAC name of 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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 146523128) is 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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.
What is the SMILES notation for 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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?
The canonical SMILES for 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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 is CCC1(CC)c2cc(N(c3ccccc3)c3ccc(-c4ccc5ccccc5c4)cc3)c3c(oc4ccccc43)c2-c2c1cc(N(c1ccccc1)c1ccc(-c3ccc4ccccc4c3)cc1)c1oc3ccccc3c21.
What is the InChIKey of 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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?
The InChIKey is QYBARBWHHXGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N2O2/c1-3-73(4-2)61-46-64(75(56-25-9-6-10-26-56)58-41-37-50(38-42-58)54-34-32-48-20-12-14-22-52(48)44-54)71-68(60-28-16-18-30-66(60)76-71)69(61)70-62(73)45-63(67-59-27-15-17-29-65(59)77-72(67)70)74(55-23-7-5-8-24-55)57-39-35-49(36-40-57)53-33-31-47-19-11-13-21-51(47)43-53/h5-46H,3-4H2,1-2H3.
What are the key properties of 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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?
15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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 has a molecular weight of 989.23 g/mol, XLogP of 21.15, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-diethyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)-12-N,18-N-diphenyl-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 is sourced from PubChem (CID 146523128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).