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

C78H54N2O — CID 168753265

IUPAC7-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
SMILESCc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(C)cc5-c5ccccc5)ccc3cc24)c(-c2ccccc2)c1
InChIInChI=1S/C78H54N2O/c1-51-27-41-75(71(43-51)55-15-5-3-6-16-55)79(63-35-29-57(30-36-63)69-25-13-21-53-19-9-11-23-67(53)69)65-39-33-59-47-73-74-48-60-34-40-66(46-62(60)50-78(74)81-77(73)49-61(59)45-65)80(76-42-28-52(2)44-72(76)56-17-7-4-8-18-56)64-37-31-58(32-38-64)70-26-14-22-54-20-10-12-24-68(54)70/h3-50H,1-2H3
InChIKeyGURFKRJBBDCUBI-UHFFFAOYSA-N
MW1035.30 g/mol
LogP22.42
Rot. Bonds10

About 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

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 (PubChem CID 168753265) has the molecular formula C78H54N2O and a molecular weight of 1035.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID168753265
Molecular FormulaC78H54N2O
Molecular Weight1035.30 g/mol
Exact Mass1034.42
IUPAC Name7-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
SMILESCc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(C)cc5-c5ccccc5)ccc3cc24)c(-c2ccccc2)c1
InChIInChI=1S/C78H54N2O/c1-51-27-41-75(71(43-51)55-15-5-3-6-16-55)79(63-35-29-57(30-36-63)69-25-13-21-53-19-9-11-23-67(53)69)65-39-33-59-47-73-74-48-60-34-40-66(46-62(60)50-78(74)81-77(73)49-61(59)45-65)80(76-42-28-52(2)44-72(76)56-17-7-4-8-18-56)64-37-31-58(32-38-64)70-26-14-22-54-20-10-12-24-68(54)70/h3-50H,1-2H3
InChIKeyGURFKRJBBDCUBI-UHFFFAOYSA-N
XLogP22.42
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.30
LogP ≤ 522.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

9-N,23-N-bis(2,4-diphenylphenyl)-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 155360309
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
7-N,17-N-bis(4-methylphenyl)-7-N,17-N-bis(3-phenyldibenzothiophen-2-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-7,17-diamine
CID 171728504
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
7-N,17-N-bis(4-phenylphenyl)-7-N,17-N-bis(2-phenyl-4-propan-2-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 168753176
7-N,17-N-diphenyl-7-N,17-N-bis(1-phenylnaphthalen-2-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-7,17-diamine
CID 171728091
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
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
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167086371
17-N-(4-tert-butylphenyl)-17-N-[2-(4-tert-butylphenyl)phenyl]-7-N-phenyl-7-N-(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 168753249
17-N-[2-(4-tert-butylphenyl)phenyl]-7-N,17-N-diphenyl-7-N-(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 168753193
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3cc4c(cc3c2)oc2cc3cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(C)cc5-c5ccccc5)ccc3cc24)c(-c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is GURFKRJBBDCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H54N2O/c1-51-27-41-75(71(43-51)55-15-5-3-6-16-55)79(63-35-29-57(30-36-63)69-25-13-21-53-19-9-11-23-67(53)69)65-39-33-59-47-73-74-48-60-34-40-66(46-62(60)50-78(74)81-77(73)49-61(59)45-65)80(76-42-28-52(2)44-72(76)56-17-7-4-8-18-56)64-37-31-58(32-38-64)70-26-14-22-54-20-10-12-24-68(54)70/h3-50H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1035.30 g/mol, XLogP of 22.42, 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(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 is sourced from PubChem (CID 168753265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).