6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine

C54H37NO — CID 176597744

IUPAC6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)Oc3ccc(-c5ccccc5)cc3-c3cccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-15-38(16-6-1)41-27-30-45(31-28-41)55(46-24-13-23-43(35-46)39-17-7-2-8-18-39)47-32-33-50-53(37-47)56-52-34-29-44(40-19-9-3-10-20-40)36-51(52)49-26-14-25-48(54(49)50)42-21-11-4-12-22-42/h1-37H
InChIKeyPYHOLPGXWXWKOJ-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.26
Rot. Bonds7

About 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine

6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine (PubChem CID 176597744) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine.

Molecular Properties

Compound Name6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
PubChem CID176597744
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC Name6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)Oc3ccc(-c5ccccc5)cc3-c3cccc(-c5ccccc5)c3-4)cc2)cc1
InChIInChI=1S/C54H37NO/c1-5-15-38(16-6-1)41-27-30-45(31-28-41)55(46-24-13-23-43(35-46)39-17-7-2-8-18-39)47-32-33-50-53(37-47)56-52-34-29-44(40-19-9-3-10-20-40)36-51(52)49-26-14-25-48(54(49)50)42-21-11-4-12-22-42/h1-37H
InChIKeyPYHOLPGXWXWKOJ-UHFFFAOYSA-N
XLogP15.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161127456
methane;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-3-yl)phenyl]-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-12-yl)phenyl]-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-[4-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 162210415
N-naphthalen-2-yl-3,17-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598441
3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
CID 176597562
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(3-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 176597519
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-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
3,12-diphenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaene
CID 118860586
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-phenylaniline
CID 174305309
N-(4-dibenzothiophen-4-ylphenyl)-18-phenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598300
N,N-bis(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-5-amine
CID 171757615
N-naphthalen-2-yl-3,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 176597550

Frequently Asked Questions

What is the IUPAC name of 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?
The IUPAC name of 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine (CID 176597744) is 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine.
What is the SMILES notation for 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?
The canonical SMILES for 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)Oc3ccc(-c5ccccc5)cc3-c3cccc(-c5ccccc5)c3-4)cc2)cc1.
What is the InChIKey of 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?
The InChIKey is PYHOLPGXWXWKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-5-15-38(16-6-1)41-27-30-45(31-28-41)55(46-24-13-23-43(35-46)39-17-7-2-8-18-39)47-32-33-50-53(37-47)56-52-34-29-44(40-19-9-3-10-20-40)36-51(52)49-26-14-25-48(54(49)50)42-21-11-4-12-22-42/h1-37H.
What are the key properties of 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine?
6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine has a molecular weight of 715.90 g/mol, XLogP of 15.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine is sourced from PubChem (CID 176597744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).