4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran

C81H51Cl2IO3 — CID 161129686

IUPAC4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(Cl)c4oc5cc6ccccc6cc5c4c3)cc21.Clc1cc(-c2ccccc2)cc2c1oc1cc3ccccc3cc12.Ic1cc(-c2ccccc2)cc2c1oc1c(-c3ccccc3)c3ccccc3cc12
InChIInChI=1S/C31H21ClO.C28H17IO.C22H13ClO/c1-31(2)26-10-6-5-9-22(26)23-12-11-20(15-27(23)31)21-14-25-24-13-18-7-3-4-8-19(18)17-29(24)33-30(25)28(32)16-21;29-25-17-21(18-9-3-1-4-10-18)16-23-24-15-20-13-7-8-14-22(20)26(28(24)30-27(23)25)19-11-5-2-6-12-19;23-20-12-17(14-6-2-1-3-7-14)11-19-18-10-15-8-4-5-9-16(15)13-21(18)24-22(19)20/h3-17H,1-2H3;1-17H;1-13H
InChIKeyUMADLZDDYARDNV-UHFFFAOYSA-N
MW1270.11 g/mol
LogP25.10
Rot. Bonds4

About 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran

4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran (PubChem CID 161129686) has the molecular formula C81H51Cl2IO3 and a molecular weight of 1270.11 g/mol. Its IUPAC name is 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran
PubChem CID161129686
Molecular FormulaC81H51Cl2IO3
Molecular Weight1270.11 g/mol
Exact Mass1268.23
IUPAC Name4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(Cl)c4oc5cc6ccccc6cc5c4c3)cc21.Clc1cc(-c2ccccc2)cc2c1oc1cc3ccccc3cc12.Ic1cc(-c2ccccc2)cc2c1oc1c(-c3ccccc3)c3ccccc3cc12
InChIInChI=1S/C31H21ClO.C28H17IO.C22H13ClO/c1-31(2)26-10-6-5-9-22(26)23-12-11-20(15-27(23)31)21-14-25-24-13-18-7-3-4-8-19(18)17-29(24)33-30(25)28(32)16-21;29-25-17-21(18-9-3-1-4-10-18)16-23-24-15-20-13-7-8-14-22(20)26(28(24)30-27(23)25)19-11-5-2-6-12-19;23-20-12-17(14-6-2-1-3-7-14)11-19-18-10-15-8-4-5-9-16(15)13-21(18)24-22(19)20/h3-17H,1-2H3;1-17H;1-13H
InChIKeyUMADLZDDYARDNV-UHFFFAOYSA-N
XLogP25.10
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001270.11
LogP ≤ 525.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169295304
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,3-b][1]benzofuran-2-amine
CID 169296337
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296272
6-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
CID 169295994
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
6-(9,9-dimethylfluoren-2-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295150
N,N-bis(9,9-dimethylfluoren-2-yl)-6-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169296266
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
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169295312
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
6-(9,9-dimethylfluoren-2-yl)-4-[naphthalen-2-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169296019
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran?
The IUPAC name of 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran (CID 161129686) is 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran is CC1(C)c2ccccc2-c2ccc(-c3cc(Cl)c4oc5cc6ccccc6cc5c4c3)cc21.Clc1cc(-c2ccccc2)cc2c1oc1cc3ccccc3cc12.Ic1cc(-c2ccccc2)cc2c1oc1c(-c3ccccc3)c3ccccc3cc12.
What is the InChIKey of 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran?
The InChIKey is UMADLZDDYARDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21ClO.C28H17IO.C22H13ClO/c1-31(2)26-10-6-5-9-22(26)23-12-11-20(15-27(23)31)21-14-25-24-13-18-7-3-4-8-19(18)17-29(24)33-30(25)28(32)16-21;29-25-17-21(18-9-3-1-4-10-18)16-23-24-15-20-13-7-8-14-22(20)26(28(24)30-27(23)25)19-11-5-2-6-12-19;23-20-12-17(14-6-2-1-3-7-14)11-19-18-10-15-8-4-5-9-16(15)13-21(18)24-22(19)20/h3-17H,1-2H3;1-17H;1-13H.
What are the key properties of 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran?
4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran has a molecular weight of 1270.11 g/mol, XLogP of 25.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran;4-chloro-2-phenylnaphtho[2,3-b][1]benzofuran;4-iodo-2,6-diphenylnaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 161129686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).