7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

C72H54N2O — CID 168753326

IUPAC7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
SMILESCc1ccc(-c2ccccc2)c(N(c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5cc(C)ccc5-c5ccccc5)c5c(C)cccc5-c5ccccc5)ccc3cc24)c2c(C)cccc2-c2ccccc2)c1
InChIInChI=1S/C72H54N2O/c1-47-31-37-61(51-21-9-5-10-22-51)67(39-47)73(71-49(3)19-17-29-63(71)53-25-13-7-14-26-53)59-35-33-55-43-65-66-44-56-34-36-60(42-58(56)46-70(66)75-69(65)45-57(55)41-59)74(68-40-48(2)32-38-62(68)52-23-11-6-12-24-52)72-50(4)20-18-30-64(72)54-27-15-8-16-28-54/h5-46H,1-4H3
InChIKeyGZGGRBBFDGNYKW-UHFFFAOYSA-N
MW963.24 g/mol
LogP20.73
Rot. Bonds10

About 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (PubChem CID 168753326) has the molecular formula C72H54N2O and a molecular weight of 963.24 g/mol. Its IUPAC name is 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

Molecular Properties

Compound Name7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
PubChem CID168753326
Molecular FormulaC72H54N2O
Molecular Weight963.24 g/mol
Exact Mass962.42
IUPAC Name7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
SMILESCc1ccc(-c2ccccc2)c(N(c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5cc(C)ccc5-c5ccccc5)c5c(C)cccc5-c5ccccc5)ccc3cc24)c2c(C)cccc2-c2ccccc2)c1
InChIInChI=1S/C72H54N2O/c1-47-31-37-61(51-21-9-5-10-22-51)67(39-47)73(71-49(3)19-17-29-63(71)53-25-13-7-14-26-53)59-35-33-55-43-65-66-44-56-34-36-60(42-58(56)46-70(66)75-69(65)45-57(55)41-59)74(68-40-48(2)32-38-62(68)52-23-11-6-12-24-52)72-50(4)20-18-30-64(72)54-27-15-8-16-28-54/h5-46H,1-4H3
InChIKeyGZGGRBBFDGNYKW-UHFFFAOYSA-N
XLogP20.73
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.24
LogP ≤ 520.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine with MolForge

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Related Compounds

9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2,4-diphenylphenyl)-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 155363140
7-N,17-N-bis(4-methyl-2-phenylphenyl)-7-N,17-N-bis(4-naphthalen-1-ylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753265
9-N,23-N-diphenyl-9-N,23-N-bis(2-phenylphenyl)-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 155361206
8-N,23-N-bis(2,5-dimethylphenyl)-8-N,23-N-bis(2-methylphenyl)-15-phenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 148580448
6-N,18-N-bis(2-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(3-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-bis(4-methylphenyl)-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-6,18-diamine
CID 160711272
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(4-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine;8-N,23-N-bis(2-methylphenyl)-8-N-[2-(4-methylphenyl)phenyl]-23-N-(2-methyl-5-phenylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 158376880
9-N,23-N-bis(2,5-dimethylphenyl)-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 155359583
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
9-N,23-N-bis(2,6-dimethylphenyl)-2-methyl-9-N,23-N-bis(6-phenyldibenzofuran-4-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 155360211
9-N,23-N-bis(2-methylphenyl)-9-N,23-N-bis(6-phenyldibenzofuran-4-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 155359681
9-N,23-N-bis(2,5-dimethylphenyl)-9-N,23-N-bis(2-methylphenyl)-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;9-N,23-N-bis(2,5-dimethylphenyl)-9-N,23-N-bis(4-methylphenyl)-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;9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(2-methylphenyl)-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;9-N,23-N-bis(2,6-dimethylphenyl)-9-N,23-N-bis(4-methylphenyl)-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;9-N,23-N-bis(3,4-dimethylphenyl)-9-N,23-N-bis(2-methylphenyl)-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 160590277
8-N,23-N-bis(2,6-dimethylphenyl)-8-N,23-N-bis(2-methyl-5-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 155362653

Frequently Asked Questions

What is the IUPAC name of 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The IUPAC name of 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (CID 168753326) is 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.
What is the SMILES notation for 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The canonical SMILES for 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is Cc1ccc(-c2ccccc2)c(N(c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5cc(C)ccc5-c5ccccc5)c5c(C)cccc5-c5ccccc5)ccc3cc24)c2c(C)cccc2-c2ccccc2)c1.
What is the InChIKey of 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
The InChIKey is GZGGRBBFDGNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N2O/c1-47-31-37-61(51-21-9-5-10-22-51)67(39-47)73(71-49(3)19-17-29-63(71)53-25-13-7-14-26-53)59-35-33-55-43-65-66-44-56-34-36-60(42-58(56)46-70(66)75-69(65)45-57(55)41-59)74(68-40-48(2)32-38-62(68)52-23-11-6-12-24-52)72-50(4)20-18-30-64(72)54-27-15-8-16-28-54/h5-46H,1-4H3.
What are the key properties of 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?
7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine has a molecular weight of 963.24 g/mol, XLogP of 20.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,17-N-bis(2-methyl-6-phenylphenyl)-7-N,17-N-bis(5-methyl-2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is sourced from PubChem (CID 168753326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).