4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline

C60H40N2O2 — CID 118441918

IUPAC4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c(c65)Oc5ccccc5O7)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-4-12-41(13-5-1)44-20-29-49(30-21-44)61(50-31-22-45(23-32-50)42-14-6-2-7-15-42)51-33-24-46(25-34-51)47-26-35-52(36-27-47)62-55-38-28-48(43-16-8-3-9-17-43)40-54(55)53-37-39-58-60(59(53)62)64-57-19-11-10-18-56(57)63-58/h1-40H
InChIKeyPGIVENGTBBGBOB-UHFFFAOYSA-N
MW820.99 g/mol
LogP16.82
Rot. Bonds8

About 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 118441918) has the molecular formula C60H40N2O2 and a molecular weight of 820.99 g/mol. Its IUPAC name is 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID118441918
Molecular FormulaC60H40N2O2
Molecular Weight820.99 g/mol
Exact Mass820.31
IUPAC Name4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c(c65)Oc5ccccc5O7)cc4)cc3)cc2)cc1
InChIInChI=1S/C60H40N2O2/c1-4-12-41(13-5-1)44-20-29-49(30-21-44)61(50-31-22-45(23-32-50)42-14-6-2-7-15-42)51-33-24-46(25-34-51)47-26-35-52(36-27-47)62-55-38-28-48(43-16-8-3-9-17-43)40-54(55)53-37-39-58-60(59(53)62)64-57-19-11-10-18-56(57)63-58/h1-40H
InChIKeyPGIVENGTBBGBOB-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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Related Compounds

N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441937
N-[4-[4-[4-(14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 118441907
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 126629727
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
12-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 129231062
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-[4-[3,6-bis(4-dibenzofuran-2-ylphenyl)carbazol-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118402366
4-(4,7-dioxa-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2,5,8,10,12(19),13(18),14,16-octaen-15-yl)-N,N-diphenylaniline
CID 71023238

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 118441918) is 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c(c65)Oc5ccccc5O7)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is PGIVENGTBBGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2O2/c1-4-12-41(13-5-1)44-20-29-49(30-21-44)61(50-31-22-45(23-32-50)42-14-6-2-7-15-42)51-33-24-46(25-34-51)47-26-35-52(36-27-47)62-55-38-28-48(43-16-8-3-9-17-43)40-54(55)53-37-39-58-60(59(53)62)64-57-19-11-10-18-56(57)63-58/h1-40H.
What are the key properties of 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]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 4-phenyl-N-[4-[4-(9-phenyl-[1,4]benzodioxino[2,3-a]carbazol-12-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118441918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).