3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine

C50H31NO2 — CID 23534517

IUPAC3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
SMILESc1ccc(Oc2c3c4cccc5cccc(c3c(Oc3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C50H31NO2/c1-5-18-33(19-6-1)51(34-20-7-2-8-21-34)42-31-30-41-44-37(42)26-15-29-40(44)47-48(41)50(53-36-24-11-4-12-25-36)46-39-28-14-17-32-16-13-27-38(43(32)39)45(46)49(47)52-35-22-9-3-10-23-35/h1-31H
InChIKeyOWRJNZNLHTXFDE-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.54
Rot. Bonds7

About 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine

3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine (PubChem CID 23534517) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine.

Molecular Properties

Compound Name3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
PubChem CID23534517
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC Name3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
SMILESc1ccc(Oc2c3c4cccc5cccc(c3c(Oc3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1
InChIInChI=1S/C50H31NO2/c1-5-18-33(19-6-1)51(34-20-7-2-8-21-34)42-31-30-41-44-37(42)26-15-29-40(44)47-48(41)50(53-36-24-11-4-12-25-36)46-39-28-14-17-32-16-13-27-38(43(32)39)45(46)49(47)52-35-22-9-3-10-23-35/h1-31H
InChIKeyOWRJNZNLHTXFDE-UHFFFAOYSA-N
XLogP14.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine with MolForge

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Related Compounds

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CID 23534519
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CID 142722018
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CID 88558472
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
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CID 123553635
CID 123553635
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CID 87744556
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CID 142722014
8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
CID 58890363
N,N-bis(3-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine
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Frequently Asked Questions

What is the IUPAC name of 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine?
The IUPAC name of 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine (CID 23534517) is 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine.
What is the SMILES notation for 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine?
The canonical SMILES for 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine is c1ccc(Oc2c3c4cccc5cccc(c3c(Oc3ccccc3)c3c6ccc(N(c7ccccc7)c7ccccc7)c7cccc(c23)c76)c54)cc1.
What is the InChIKey of 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine?
The InChIKey is OWRJNZNLHTXFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-5-18-33(19-6-1)51(34-20-7-2-8-21-34)42-31-30-41-44-37(42)26-15-29-40(44)47-48(41)50(53-36-24-11-4-12-25-36)46-39-28-14-17-32-16-13-27-38(43(32)39)45(46)49(47)52-35-22-9-3-10-23-35/h1-31H.
What are the key properties of 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine?
3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine has a molecular weight of 677.80 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-diphenoxy-N,N-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaen-8-amine is sourced from PubChem (CID 23534517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).