2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

C31H20Cl2N2O — CID 134399157

IUPAC2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c(Cl)nc(Cl)nc6c5c4)cc3)cc21
InChIInChI=1S/C31H20Cl2N2O/c1-31(2)24-6-4-3-5-21(24)22-13-11-20(16-25(22)31)18-9-7-17(8-10-18)19-12-14-26-23(15-19)27-28(36-26)29(32)35-30(33)34-27/h3-16H,1-2H3
InChIKeyGEHHKKPPRHDASO-UHFFFAOYSA-N
MW507.42 g/mol
LogP9.32
Rot. Bonds2

About 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 134399157) has the molecular formula C31H20Cl2N2O and a molecular weight of 507.42 g/mol. Its IUPAC name is 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID134399157
Molecular FormulaC31H20Cl2N2O
Molecular Weight507.42 g/mol
Exact Mass506.10
IUPAC Name2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c(Cl)nc(Cl)nc6c5c4)cc3)cc21
InChIInChI=1S/C31H20Cl2N2O/c1-31(2)24-6-4-3-5-21(24)22-13-11-20(16-25(22)31)18-9-7-17(8-10-18)19-12-14-26-23(15-19)27-28(36-26)29(32)35-30(33)34-27/h3-16H,1-2H3
InChIKeyGEHHKKPPRHDASO-UHFFFAOYSA-N
XLogP9.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-(9,9-dimethylfluoren-2-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134398969
8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134399160
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
7-chloro-5-(9,9-dimethylfluoren-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 170536167
6-bromo-2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 118614795
2-[8-(9,9-dimethylfluoren-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 176818482
2-[3-[8-(9,9-dimethylfluoren-2-yl)-2-phenyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121244814
2,3,5-triphenyl-6-[8-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)dibenzofuran-4-yl]pyrazine
CID 166902274
2,9-bis(4-dibenzofuran-2-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline;2,9-bis(4-dibenzofuran-4-ylphenyl)-3,8-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 159320654
2,8-bis(9,9-dimethylfluoren-2-yl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran;2,8-bis(4-naphthalen-2-ylphenyl)-4-(4-phenanthren-9-ylphenyl)dibenzofuran
CID 157340678
8-dibenzofuran-3-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167047627
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 134399157) is 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5oc6c(Cl)nc(Cl)nc6c5c4)cc3)cc21.
What is the InChIKey of 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is GEHHKKPPRHDASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20Cl2N2O/c1-31(2)24-6-4-3-5-21(24)22-13-11-20(16-25(22)31)18-9-7-17(8-10-18)19-12-14-26-23(15-19)27-28(36-26)29(32)35-30(33)34-27/h3-16H,1-2H3.
What are the key properties of 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 507.42 g/mol, XLogP of 9.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-[4-(9,9-dimethylfluoren-2-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 134399157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).