1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione

C26H17N3O2 — CID 122491694

IUPAC1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H17N3O2/c30-25-20-11-5-7-13-23(20)29(26(31)27-25)18-14-15-24-21(16-18)19-10-4-6-12-22(19)28(24)17-8-2-1-3-9-17/h1-16H,(H,27,30,31)
InChIKeyXRWBLBOWTKDPMG-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.78
Rot. Bonds2

About 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione

1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione (PubChem CID 122491694) has the molecular formula C26H17N3O2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione
PubChem CID122491694
Molecular FormulaC26H17N3O2
Molecular Weight403.44 g/mol
Exact Mass403.13
IUPAC Name1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12
InChIInChI=1S/C26H17N3O2/c30-25-20-11-5-7-13-23(20)29(26(31)27-25)18-14-15-24-21(16-18)19-10-4-6-12-22(19)28(24)17-8-2-1-3-9-17/h1-16H,(H,27,30,31)
InChIKeyXRWBLBOWTKDPMG-UHFFFAOYSA-N
XLogP4.78
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
4,24-bis(3-carbazol-9-ylcarbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;4-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22,24,26,28,30(39),32,34,36-octadecaene;4,24-di(carbazol-9-yl)-11,18,31,38-tetraphenyl-11,18,31,38-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene;19,24-di(carbazol-9-yl)-5,12,31,38-tetraphenyl-5,12,31,38-tetrazanonacyclo[26.12.0.02,15.04,13.06,11.016,21.022,27.030,39.032,37]tetraconta-1(40),2,4(13),6,8,10,14,16(21),17,19,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 159371639
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole
CID 163545448

Frequently Asked Questions

What is the IUPAC name of 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione?
The IUPAC name of 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione (CID 122491694) is 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione.
What is the SMILES notation for 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione?
The canonical SMILES for 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione?
The InChIKey is XRWBLBOWTKDPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O2/c30-25-20-11-5-7-13-23(20)29(26(31)27-25)18-14-15-24-21(16-18)19-10-4-6-12-22(19)28(24)17-8-2-1-3-9-17/h1-16H,(H,27,30,31).
What are the key properties of 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione?
1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione has a molecular weight of 403.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-phenylcarbazol-3-yl)quinazoline-2,4-dione is sourced from PubChem (CID 122491694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).