6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione

C39H27N3O3 — CID 156568649

IUPAC6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione
SMILESC=Cc1c(/C=C\C)oc2c1ccc1c2c2ccc(-c3cccc(-c4ccc5[nH]c(=O)[nH]c(=O)c5c4)c3)cc2n1-c1ccccc1
InChIInChI=1S/C39H27N3O3/c1-3-9-35-28(4-2)29-17-19-33-36(37(29)45-35)30-16-14-26(22-34(30)42(33)27-12-6-5-7-13-27)24-11-8-10-23(20-24)25-15-18-32-31(21-25)38(43)41-39(44)40-32/h3-22H,2H2,1H3,(H2,40,41,43,44)/b9-3-
InChIKeyYKYYKTAPKMHZGL-OQFOIZHKSA-N
MW585.66 g/mol
LogP9.07
Rot. Bonds5

About 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione

6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione (PubChem CID 156568649) has the molecular formula C39H27N3O3 and a molecular weight of 585.66 g/mol. Its IUPAC name is 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione
PubChem CID156568649
Molecular FormulaC39H27N3O3
Molecular Weight585.66 g/mol
Exact Mass585.21
IUPAC Name6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione
SMILESC=Cc1c(/C=C\C)oc2c1ccc1c2c2ccc(-c3cccc(-c4ccc5[nH]c(=O)[nH]c(=O)c5c4)c3)cc2n1-c1ccccc1
InChIInChI=1S/C39H27N3O3/c1-3-9-35-28(4-2)29-17-19-33-36(37(29)45-35)30-16-14-26(22-34(30)42(33)27-12-6-5-7-13-27)24-11-8-10-23(20-24)25-15-18-32-31(21-25)38(43)41-39(44)40-32/h3-22H,2H2,1H3,(H2,40,41,43,44)/b9-3-
InChIKeyYKYYKTAPKMHZGL-OQFOIZHKSA-N
XLogP9.07
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 59.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethenyl-8-[10-(3-phenylphenyl)anthracen-9-yl]-2-[(Z)-prop-1-enyl]-[1]benzofuro[7,6-b][1]benzofuran
CID 170224009
5,11-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;9,14-diphenyl-6-[3-(9-phenylcarbazol-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159229324
1-ethenyl-3-(3-phenylphenyl)-2-prop-1-enyl-[1]benzofuro[2,3-e]indole
CID 123383363
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]phenyl]benzo[b]carbazole;ethane
CID 142568428
6-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-2,9-diphenylcarbazole;9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 162084948
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
10-[2,3-bis(ethenyl)phenyl]-20-naphthalen-1-yl-6,24-diphenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 142521202
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398005
6,9-diphenyl-2-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492358
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione (CID 156568649) is 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione is C=Cc1c(/C=C\C)oc2c1ccc1c2c2ccc(-c3cccc(-c4ccc5[nH]c(=O)[nH]c(=O)c5c4)c3)cc2n1-c1ccccc1.
What is the InChIKey of 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is YKYYKTAPKMHZGL-OQFOIZHKSA-N. The full InChI is InChI=1S/C39H27N3O3/c1-3-9-35-28(4-2)29-17-19-33-36(37(29)45-35)30-16-14-26(22-34(30)42(33)27-12-6-5-7-13-27)24-11-8-10-23(20-24)25-15-18-32-31(21-25)38(43)41-39(44)40-32/h3-22H,2H2,1H3,(H2,40,41,43,44)/b9-3-.
What are the key properties of 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione?
6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 585.66 g/mol, XLogP of 9.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-ethenyl-6-phenyl-2-[(Z)-prop-1-enyl]furo[2,3-g]carbazol-8-yl]phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 156568649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).