9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

C55H42N2O2 — CID 155362324

IUPAC9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5)ccc4cc23)c1
InChIInChI=1S/C55H42N2O2/c1-34(2)53-54-49-30-38-22-24-46(57(42-17-9-6-10-18-42)44-20-12-14-36(4)26-44)28-40(38)32-51(49)58-52(54)33-48-47-29-37-21-23-45(27-39(37)31-50(47)59-55(48)53)56(41-15-7-5-8-16-41)43-19-11-13-35(3)25-43/h5-34H,1-4H3
InChIKeyIDDYHAVZOCESQK-UHFFFAOYSA-N
MW762.95 g/mol
LogP16.47
Rot. Bonds7

About 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155362324) has the molecular formula C55H42N2O2 and a molecular weight of 762.95 g/mol. Its IUPAC name is 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

Compound Name9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
PubChem CID155362324
Molecular FormulaC55H42N2O2
Molecular Weight762.95 g/mol
Exact Mass762.32
IUPAC Name9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
SMILESCc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5)ccc4cc23)c1
InChIInChI=1S/C55H42N2O2/c1-34(2)53-54-49-30-38-22-24-46(57(42-17-9-6-10-18-42)44-20-12-14-36(4)26-44)28-40(38)32-51(49)58-52(54)33-48-47-29-37-21-23-45(27-39(37)31-50(47)59-55(48)53)56(41-15-7-5-8-16-41)43-19-11-13-35(3)25-43/h5-34H,1-4H3
InChIKeyIDDYHAVZOCESQK-UHFFFAOYSA-N
XLogP16.47
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine with MolForge

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Related Compounds

9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N-diphenyl-16-propan-2-yl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361632
9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(3-phenylphenyl)-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362426
2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360712
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361243
9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N,2-triphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361228
9-N,23-N-bis(4-tert-butylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine;9-N,23-N-diphenyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 158895698
9-N,23-N-diphenyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 146497283
2-tert-butyl-9-N,9-N,23-N,23-N-tetraphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155363069
16-methyl-9-N,23-N-diphenyl-9-N,23-N-bis(4-propan-2-ylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155360468
2,16-dimethyl-9-N,9-N,23-N,23-N-tetraphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361604
2,16-dimethyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362157
8-N,23-N-diphenyl-8-N,23-N-bis(3-propan-2-ylphenyl)-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 155361924

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
The IUPAC name of 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155362324) is 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine.
What is the SMILES notation for 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
The canonical SMILES for 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2c(C(C)C)c3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc(C)c5)ccc4cc23)c1.
What is the InChIKey of 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
The InChIKey is IDDYHAVZOCESQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2O2/c1-34(2)53-54-49-30-38-22-24-46(57(42-17-9-6-10-18-42)44-20-12-14-36(4)26-44)28-40(38)32-51(49)58-52(54)33-48-47-29-37-21-23-45(27-39(37)31-50(47)59-55(48)53)56(41-15-7-5-8-16-41)43-19-11-13-35(3)25-43/h5-34H,1-4H3.
What are the key properties of 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine?
9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 762.95 g/mol, XLogP of 16.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155362324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).