N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine

C52H35NO — CID 171757608

IUPACN,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine
SMILESc1ccc(-c2ccc3c(c2)Oc2c(ccc4ccccc24)-c2ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccccc5)cc4)cc2-3)cc1
InChIInChI=1S/C52H35NO/c1-4-14-36(15-5-1)40-27-31-48-50-35-43(30-33-47(50)49-32-26-38-18-10-11-23-46(38)52(49)54-51(48)34-40)53(41-19-8-3-9-20-41)42-28-24-39(25-29-42)45-22-13-12-21-44(45)37-16-6-2-7-17-37/h1-35H
InChIKeyZSHDGJDWLWNVFW-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.75
Rot. Bonds6

About N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine

N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine (PubChem CID 171757608) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine.

Molecular Properties

Compound NameN,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine
PubChem CID171757608
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine
SMILESc1ccc(-c2ccc3c(c2)Oc2c(ccc4ccccc24)-c2ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccccc5)cc4)cc2-3)cc1
InChIInChI=1S/C52H35NO/c1-4-14-36(15-5-1)40-27-31-48-50-35-43(30-33-47(50)49-32-26-38-18-10-11-23-46(38)52(49)54-51(48)34-40)53(41-19-8-3-9-20-41)42-28-24-39(25-29-42)45-22-13-12-21-44(45)37-16-6-2-7-17-37/h1-35H
InChIKeyZSHDGJDWLWNVFW-UHFFFAOYSA-N
XLogP14.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine with MolForge

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Related Compounds

N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
16-naphthalen-1-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-amine
CID 176598374
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)phenanthren-3-amine
CID 177081123
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-4-amine
CID 171757387
4-(3-benzo[c]phenanthren-1-ylphenyl)-N,3-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167183655
5,17-diphenyl-N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8(13),9,11,16,18-nonaen-10-amine
CID 176598412
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995

Frequently Asked Questions

What is the IUPAC name of N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine?
The IUPAC name of N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine (CID 171757608) is N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine.
What is the SMILES notation for N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine?
The canonical SMILES for N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine is c1ccc(-c2ccc3c(c2)Oc2c(ccc4ccccc24)-c2ccc(N(c4ccccc4)c4ccc(-c5ccccc5-c5ccccc5)cc4)cc2-3)cc1.
What is the InChIKey of N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine?
The InChIKey is ZSHDGJDWLWNVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-14-36(15-5-1)40-27-31-48-50-35-43(30-33-47(50)49-32-26-38-18-10-11-23-46(38)52(49)54-51(48)34-40)53(41-19-8-3-9-20-41)42-28-24-39(25-29-42)45-22-13-12-21-44(45)37-16-6-2-7-17-37/h1-35H.
What are the key properties of N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine?
N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine has a molecular weight of 689.86 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,11-diphenyl-N-[4-(2-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8(13),9,11,16,18,20,22-undecaen-5-amine is sourced from PubChem (CID 171757608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).