N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C60H40N2O2 — CID 118441909

IUPACN-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c(c76)Oc6ccccc6O8)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-11-41(12-4-1)45-23-31-49(32-24-45)61(50-33-25-46(26-34-50)42-13-5-2-6-14-42)51-35-27-47(28-36-51)43-19-21-44(22-20-43)48-29-37-52(38-30-48)62-55-16-8-7-15-53(55)54-39-40-58-60(59(54)62)64-57-18-10-9-17-56(57)63-58/h1-40H
InChIKeyVRHDEBLZHFKHQH-UHFFFAOYSA-N
MW820.99 g/mol
LogP16.82
Rot. Bonds8

About N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118441909) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118441909
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC NameN-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c(c76)Oc6ccccc6O8)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-3-11-41(12-4-1)45-23-31-49(32-24-45)61(50-33-25-46(26-34-50)42-13-5-2-6-14-42)51-35-27-47(28-36-51)43-19-21-44(22-20-43)48-29-37-52(38-30-48)62-55-16-8-7-15-53(55)54-39-40-58-60(59(54)62)64-57-18-10-9-17-56(57)63-58/h1-40H
InChIKeyVRHDEBLZHFKHQH-UHFFFAOYSA-N
XLogP16.82
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.99
LogP ≤ 516.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 118441909) is N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccc8c(c76)Oc6ccccc6O8)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VRHDEBLZHFKHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-3-11-41(12-4-1)45-23-31-49(32-24-45)61(50-33-25-46(26-34-50)42-13-5-2-6-14-42)51-35-27-47(28-36-51)43-19-21-44(22-20-43)48-29-37-52(38-30-48)62-55-16-8-7-15-53(55)54-39-40-58-60(59(54)62)64-57-18-10-9-17-56(57)63-58/h1-40H.
What are the key properties of N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 820.99 g/mol, XLogP of 16.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-([1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118441909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).