N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline

C68H44N2O2 — CID 58161028

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc23)cc1
InChIInChI=1S/C68H44N2O2/c1-4-16-48(17-5-1)65-61-44-50(36-43-62(61)70(51-20-8-3-9-21-51)66(65)49-18-6-2-7-19-49)45-30-37-52(38-31-45)69(53-39-32-46(33-40-53)55-24-14-26-59-57-22-10-12-28-63(57)71-67(55)59)54-41-34-47(35-42-54)56-25-15-27-60-58-23-11-13-29-64(58)72-68(56)60/h1-44H
InChIKeyGAIWISZHPRNFHE-UHFFFAOYSA-N
MW921.11 g/mol
LogP19.23
Rot. Bonds9

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline (PubChem CID 58161028) has the molecular formula C68H44N2O2 and a molecular weight of 921.11 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline
PubChem CID58161028
Molecular FormulaC68H44N2O2
Molecular Weight921.11 g/mol
Exact Mass920.34
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc23)cc1
InChIInChI=1S/C68H44N2O2/c1-4-16-48(17-5-1)65-61-44-50(36-43-62(61)70(51-20-8-3-9-21-51)66(65)49-18-6-2-7-19-49)45-30-37-52(38-31-45)69(53-39-32-46(33-40-53)55-24-14-26-59-57-22-10-12-28-63(57)71-67(55)59)54-41-34-47(35-42-54)56-25-15-27-60-58-23-11-13-29-64(58)72-68(56)60/h1-44H
InChIKeyGAIWISZHPRNFHE-UHFFFAOYSA-N
XLogP19.23
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.11
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline (CID 58161028) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline is c1ccc(-c2c(-c3ccccc3)n(-c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc23)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline?
The InChIKey is GAIWISZHPRNFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O2/c1-4-16-48(17-5-1)65-61-44-50(36-43-62(61)70(51-20-8-3-9-21-51)66(65)49-18-6-2-7-19-49)45-30-37-52(38-31-45)69(53-39-32-46(33-40-53)55-24-14-26-59-57-22-10-12-28-63(57)71-67(55)59)54-41-34-47(35-42-54)56-25-15-27-60-58-23-11-13-29-64(58)72-68(56)60/h1-44H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline has a molecular weight of 921.11 g/mol, XLogP of 19.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(1,2,3-triphenylindol-5-yl)aniline is sourced from PubChem (CID 58161028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).