10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine

C74H48N2O2 — CID 155359774

IUPAC10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5c(ccc6oc7cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)c8ccccc8c7c65)c4c4ccccc34)cc2)cc1
InChIInChI=1S/C74H48N2O2/c1-5-17-49(18-6-1)53-29-37-57(38-30-53)75(58-39-31-54(32-40-58)50-19-7-2-8-20-50)66-47-69-71(63-27-15-13-25-61(63)66)65-45-46-68-73(74(65)78-69)72-64-28-16-14-26-62(64)67(48-70(72)77-68)76(59-41-33-55(34-42-59)51-21-9-3-10-22-51)60-43-35-56(36-44-60)52-23-11-4-12-24-52/h1-48H
InChIKeyOKGUXKKVWPTMDJ-UHFFFAOYSA-N
MW997.21 g/mol
LogP21.40
Rot. Bonds10

About 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine

10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine (PubChem CID 155359774) has the molecular formula C74H48N2O2 and a molecular weight of 997.21 g/mol. Its IUPAC name is 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine.

Molecular Properties

Compound Name10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
PubChem CID155359774
Molecular FormulaC74H48N2O2
Molecular Weight997.21 g/mol
Exact Mass996.37
IUPAC Name10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5c(ccc6oc7cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)c8ccccc8c7c65)c4c4ccccc34)cc2)cc1
InChIInChI=1S/C74H48N2O2/c1-5-17-49(18-6-1)53-29-37-57(38-30-53)75(58-39-31-54(32-40-58)50-19-7-2-8-20-50)66-47-69-71(63-27-15-13-25-61(63)66)65-45-46-68-73(74(65)78-69)72-64-28-16-14-26-62(64)67(48-70(72)77-68)76(59-41-33-55(34-42-59)51-21-9-3-10-22-51)60-43-35-56(36-44-60)52-23-11-4-12-24-52/h1-48H
InChIKeyOKGUXKKVWPTMDJ-UHFFFAOYSA-N
XLogP21.40
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.21
LogP ≤ 521.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine with MolForge

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Related Compounds

10-N,10-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155360889
10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155361809
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468594
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707795
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 164707819
10-N,25-N-bis(4-fluorophenyl)-10-N,25-N-bis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
CID 155360417
N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468645
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468588
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
N-[4-[4-[N-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)anilino]naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468639
N-[4-(4-chlorophenyl)phenyl]-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 153468544
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 130387466

Frequently Asked Questions

What is the IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?
The IUPAC name of 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine (CID 155359774) is 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine.
What is the SMILES notation for 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?
The canonical SMILES for 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4oc5c(ccc6oc7cc(N(c8ccc(-c9ccccc9)cc8)c8ccc(-c9ccccc9)cc8)c8ccccc8c7c65)c4c4ccccc34)cc2)cc1.
What is the InChIKey of 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?
The InChIKey is OKGUXKKVWPTMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2O2/c1-5-17-49(18-6-1)53-29-37-57(38-30-53)75(58-39-31-54(32-40-58)50-19-7-2-8-20-50)66-47-69-71(63-27-15-13-25-61(63)66)65-45-46-68-73(74(65)78-69)72-64-28-16-14-26-62(64)67(48-70(72)77-68)76(59-41-33-55(34-42-59)51-21-9-3-10-22-51)60-43-35-56(36-44-60)52-23-11-4-12-24-52/h1-48H.
What are the key properties of 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?
10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine has a molecular weight of 997.21 g/mol, XLogP of 21.40, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,10-N,25-N,25-N-tetrakis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine is sourced from PubChem (CID 155359774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).