N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline

C51H33N3O — CID 146252809

IUPACN,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)Oc4cccc5ccnc-6c45)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-11-34(12-5-1)35-19-24-41(25-20-35)53(39-14-6-2-7-15-39)42-26-21-36(22-27-42)38-23-28-46-43(31-38)44-32-45-49(33-47(44)54(46)40-16-8-3-9-17-40)55-48-18-10-13-37-29-30-52-51(45)50(37)48/h1-33H
InChIKeyWGPNNVABUTZILP-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.91
Rot. Bonds6

About N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline

N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline (PubChem CID 146252809) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline
PubChem CID146252809
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC NameN,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)Oc4cccc5ccnc-6c45)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-11-34(12-5-1)35-19-24-41(25-20-35)53(39-14-6-2-7-15-39)42-26-21-36(22-27-42)38-23-28-46-43(31-38)44-32-45-49(33-47(44)54(46)40-16-8-3-9-17-40)55-48-18-10-13-37-29-30-52-51(45)50(37)48/h1-33H
InChIKeyWGPNNVABUTZILP-UHFFFAOYSA-N
XLogP13.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline with MolForge

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Related Compounds

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12-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
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CID 121312844

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline (CID 146252809) is N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)Oc4cccc5ccnc-6c45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline?
The InChIKey is WGPNNVABUTZILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-4-11-34(12-5-1)35-19-24-41(25-20-35)53(39-14-6-2-7-15-39)42-26-21-36(22-27-42)38-23-28-46-43(31-38)44-32-45-49(33-47(44)54(46)40-16-8-3-9-17-40)55-48-18-10-13-37-29-30-52-51(45)50(37)48/h1-33H.
What are the key properties of N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline has a molecular weight of 703.85 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(11-phenyl-15-oxa-11,23-diazahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5(10),6,8,12,16,18,20(24),21-undecaen-7-yl)phenyl]aniline is sourced from PubChem (CID 146252809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).