4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

C232H162O4 — CID 159495965

IUPAC4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21.c1cc(-c2ccc(C(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc(-c2cccc3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(C(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C67H50O.C63H42O.C55H38O.C47H32O/c1-66(2)59-38-47(42-15-7-5-8-16-42)29-33-53(59)55-35-31-50(40-61(55)66)64(51-32-36-56-54-34-30-48(43-17-9-6-10-18-43)39-60(54)67(3,4)62(56)41-51)45-27-25-44(26-28-45)46-19-13-20-49(37-46)52-22-14-23-58-57-21-11-12-24-63(57)68-65(52)58;1-3-22-55-44(12-1)14-10-25-57(55)52-19-7-16-48(38-52)42-28-32-46(33-29-42)63(54-21-9-18-50(40-54)51-36-37-62-60(41-51)59-24-5-6-27-61(59)64-62)47-34-30-43(31-35-47)49-17-8-20-53(39-49)58-26-11-15-45-13-2-4-23-56(45)58;1-3-11-38(12-4-1)40-21-23-41(24-22-40)42-25-29-44(30-26-42)55(45-31-27-43(28-32-45)47-16-9-15-46(35-47)39-13-5-2-6-14-39)50-18-10-17-48(36-50)49-33-34-54-52(37-49)51-19-7-8-20-53(51)56-54;1-2-11-32(12-3-1)36-15-8-16-37(29-36)33-23-25-35(26-24-33)47(43-21-10-14-34-13-4-5-19-41(34)43)40-18-9-17-38(30-40)39-27-28-46-44(31-39)42-20-6-7-22-45(42)48-46/h5-41,64H,1-4H3;1-41,63H;1-37,55H;1-31,47H
InChIKeyLYUCCEFGMJDJRH-UHFFFAOYSA-N
MW3013.84 g/mol
LogP63.48
Rot. Bonds29

About 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran

4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (PubChem CID 159495965) has the molecular formula C232H162O4 and a molecular weight of 3013.84 g/mol. Its IUPAC name is 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
PubChem CID159495965
Molecular FormulaC232H162O4
Molecular Weight3013.84 g/mol
Exact Mass3011.25
IUPAC Name4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21.c1cc(-c2ccc(C(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc(-c2cccc3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(C(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4cccc5ccccc45)cc3)c2)cc1
InChIInChI=1S/C67H50O.C63H42O.C55H38O.C47H32O/c1-66(2)59-38-47(42-15-7-5-8-16-42)29-33-53(59)55-35-31-50(40-61(55)66)64(51-32-36-56-54-34-30-48(43-17-9-6-10-18-43)39-60(54)67(3,4)62(56)41-51)45-27-25-44(26-28-45)46-19-13-20-49(37-46)52-22-14-23-58-57-21-11-12-24-63(57)68-65(52)58;1-3-22-55-44(12-1)14-10-25-57(55)52-19-7-16-48(38-52)42-28-32-46(33-29-42)63(54-21-9-18-50(40-54)51-36-37-62-60(41-51)59-24-5-6-27-61(59)64-62)47-34-30-43(31-35-47)49-17-8-20-53(39-49)58-26-11-15-45-13-2-4-23-56(45)58;1-3-11-38(12-4-1)40-21-23-41(24-22-40)42-25-29-44(30-26-42)55(45-31-27-43(28-32-45)47-16-9-15-46(35-47)39-13-5-2-6-14-39)50-18-10-17-48(36-50)49-33-34-54-52(37-49)51-19-7-8-20-53(51)56-54;1-2-11-32(12-3-1)36-15-8-16-37(29-36)33-23-25-35(26-24-33)47(43-21-10-14-34-13-4-5-19-41(34)43)40-18-9-17-38(30-40)39-27-28-46-44(31-39)42-20-6-7-22-45(42)48-46/h5-41,64H,1-4H3;1-41,63H;1-37,55H;1-31,47H
InChIKeyLYUCCEFGMJDJRH-UHFFFAOYSA-N
XLogP63.48
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms236
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003013.84
LogP ≤ 563.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran with MolForge

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Related Compounds

2-[3-[4-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-[3-(4-methylphenyl)phenyl]phenyl]methyl]phenyl]dibenzofuran;2-[3-[bis[4-(4-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[4-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 159462460
2-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136781
10-[3-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;5-[3-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[1,2-b][1]benzofuran;5-[3-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(3-naphtho[1,2-b][1]benzofuran-5-ylphenyl)methyl]phenyl]naphtho[1,2-b][1]benzofuran;10-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;10-[3-[(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran;10-[3-[(3-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 161128274
4-[3-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136983
2-[3-[(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59136691
4-[4-[3-[bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran
CID 59136907
3-[9,9-dimethyl-7-[(4-naphthalen-1-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]fluoren-2-yl]dibenzofuran
CID 59136756
4-[4-[3-[naphthalen-1-yl-[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136882
2-[7-[bis[4-(4-phenylphenyl)phenyl]methyl]-9,9-dimethylfluoren-2-yl]dibenzofuran
CID 59136953
3-[4-[(4-dibenzofuran-3-ylphenyl)-(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]dibenzofuran;3-[4-[(4-dibenzofuran-3-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;3-[4-[(4-dibenzofuran-3-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;9-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran;9-[4-[(4-naphtho[1,2-b][1]benzofuran-9-ylphenyl)-[4-(4-phenylphenyl)phenyl]methyl]phenyl]naphtho[1,2-b][1]benzofuran;9-[4-[(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-[4-(3-phenylphenyl)phenyl]methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 157305645
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
10-[4-[(9,9-dimethyl-7-phenylfluoren-2-yl)-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)methyl]phenyl]naphtho[2,1-b][1]benzofuran
CID 59136925

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The IUPAC name of 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran (CID 159495965) is 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The canonical SMILES for 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(C(c3ccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)cc21.c1cc(-c2ccc(C(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3cccc(-c4ccc5oc6ccccc6c5c4)c3)cc2)cc(-c2cccc3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(C(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(C(c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c4cccc5ccccc45)cc3)c2)cc1.
What is the InChIKey of 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
The InChIKey is LYUCCEFGMJDJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50O.C63H42O.C55H38O.C47H32O/c1-66(2)59-38-47(42-15-7-5-8-16-42)29-33-53(59)55-35-31-50(40-61(55)66)64(51-32-36-56-54-34-30-48(43-17-9-6-10-18-43)39-60(54)67(3,4)62(56)41-51)45-27-25-44(26-28-45)46-19-13-20-49(37-46)52-22-14-23-58-57-21-11-12-24-63(57)68-65(52)58;1-3-22-55-44(12-1)14-10-25-57(55)52-19-7-16-48(38-52)42-28-32-46(33-29-42)63(54-21-9-18-50(40-54)51-36-37-62-60(41-51)59-24-5-6-27-61(59)64-62)47-34-30-43(31-35-47)49-17-8-20-53(39-49)58-26-11-15-45-13-2-4-23-56(45)58;1-3-11-38(12-4-1)40-21-23-41(24-22-40)42-25-29-44(30-26-42)55(45-31-27-43(28-32-45)47-16-9-15-46(35-47)39-13-5-2-6-14-39)50-18-10-17-48(36-50)49-33-34-54-52(37-49)51-19-7-8-20-53(51)56-54;1-2-11-32(12-3-1)36-15-8-16-37(29-36)33-23-25-35(26-24-33)47(43-21-10-14-34-13-4-5-19-41(34)43)40-18-9-17-38(30-40)39-27-28-46-44(31-39)42-20-6-7-22-45(42)48-46/h5-41,64H,1-4H3;1-41,63H;1-37,55H;1-31,47H.
What are the key properties of 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran?
4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran has a molecular weight of 3013.84 g/mol, XLogP of 63.48, 29 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[bis(9,9-dimethyl-7-phenylfluoren-2-yl)methyl]phenyl]phenyl]dibenzofuran;2-[3-[bis[4-(3-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[naphthalen-1-yl-[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran;2-[3-[[4-(3-phenylphenyl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran is sourced from PubChem (CID 159495965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).