6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione

C41H29N3O2 — CID 122491611

IUPAC6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c(=O)n(-c4ccccc4)c(=O)n5-c4ccccc4)c3cc21
InChIInChI=1S/C41H29N3O2/c1-41(2)34-19-11-9-17-29(34)31-24-32-30-18-10-12-20-36(30)42(38(32)25-35(31)41)28-21-22-37-33(23-28)39(45)44(27-15-7-4-8-16-27)40(46)43(37)26-13-5-3-6-14-26/h3-25H,1-2H3
InChIKeyVKMSXLZDOXQAHY-UHFFFAOYSA-N
MW595.70 g/mol
LogP8.55
Rot. Bonds3

About 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione

6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione (PubChem CID 122491611) has the molecular formula C41H29N3O2 and a molecular weight of 595.70 g/mol. Its IUPAC name is 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione.

Molecular Properties

Compound Name6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
PubChem CID122491611
Molecular FormulaC41H29N3O2
Molecular Weight595.70 g/mol
Exact Mass595.23
IUPAC Name6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c(=O)n(-c4ccccc4)c(=O)n5-c4ccccc4)c3cc21
InChIInChI=1S/C41H29N3O2/c1-41(2)34-19-11-9-17-29(34)31-24-32-30-18-10-12-20-36(30)42(38(32)25-35(31)41)28-21-22-37-33(23-28)39(45)44(27-15-7-4-8-16-27)40(46)43(37)26-13-5-3-6-14-26/h3-25H,1-2H3
InChIKeyVKMSXLZDOXQAHY-UHFFFAOYSA-N
XLogP8.55
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione with MolForge

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Related Compounds

2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
6-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-1,3-diphenylquinazoline-2,4-dione
CID 122491504
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
3-(9-phenylcarbazol-3-yl)-1-(9,9'-spirobi[fluorene]-2-yl)quinazoline-2,4-dione
CID 122491465
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
30,30-dimethyl-5-(9-phenylcarbazol-2-yl)-5-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361045

Frequently Asked Questions

What is the IUPAC name of 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione?
The IUPAC name of 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione (CID 122491611) is 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione.
What is the SMILES notation for 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione?
The canonical SMILES for 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c(=O)n(-c4ccccc4)c(=O)n5-c4ccccc4)c3cc21.
What is the InChIKey of 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione?
The InChIKey is VKMSXLZDOXQAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3O2/c1-41(2)34-19-11-9-17-29(34)31-24-32-30-18-10-12-20-36(30)42(38(32)25-35(31)41)28-21-22-37-33(23-28)39(45)44(27-15-7-4-8-16-27)40(46)43(37)26-13-5-3-6-14-26/h3-25H,1-2H3.
What are the key properties of 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione?
6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione has a molecular weight of 595.70 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-diphenylquinazoline-2,4-dione is sourced from PubChem (CID 122491611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).