N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline

C54H38N2 — CID 129062206

IUPACN,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-4-15-39(16-5-1)40-27-32-47(33-28-40)55(45-19-6-2-7-20-45)48-34-29-41(30-35-48)42-17-14-18-43(37-42)44-31-36-54-52(38-44)50-24-11-10-23-49(50)51-25-12-13-26-53(51)56(54)46-21-8-3-9-22-46/h1-38H
InChIKeyBUWSMYXGZWTMEP-UHFFFAOYSA-N
MW714.91 g/mol
LogP15.27
Rot. Bonds7

About N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline

N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline (PubChem CID 129062206) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline
PubChem CID129062206
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-4-15-39(16-5-1)40-27-32-47(33-28-40)55(45-19-6-2-7-20-45)48-34-29-41(30-35-48)42-17-14-18-43(37-42)44-31-36-54-52(38-44)50-24-11-10-23-49(50)51-25-12-13-26-53(51)56(54)46-21-8-3-9-22-46/h1-38H
InChIKeyBUWSMYXGZWTMEP-UHFFFAOYSA-N
XLogP15.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline (CID 129062206) is N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline?
The InChIKey is BUWSMYXGZWTMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-15-39(16-5-1)40-27-32-47(33-28-40)55(45-19-6-2-7-20-45)48-34-29-41(30-35-48)42-17-14-18-43(37-42)44-31-36-54-52(38-44)50-24-11-10-23-49(50)51-25-12-13-26-53(51)56(54)46-21-8-3-9-22-46/h1-38H.
What are the key properties of N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline?
N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline has a molecular weight of 714.91 g/mol, XLogP of 15.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[3-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 129062206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).