4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran

C211H134O4S2 — CID 167663659

IUPAC4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3oc3ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4occc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C47H32O.C44H26OS.C44H28S.C42H26O.C34H22O/c1-47(2)40-22-12-10-16-32(40)33-25-24-30(28-41(33)47)31-26-27-39(45-38-21-11-13-23-42(38)48-46(31)45)44-36-19-8-6-17-34(36)43(29-14-4-3-5-15-29)35-18-7-9-20-37(35)44;1-2-12-27(13-3-1)41-31-15-4-6-17-33(31)42(34-18-7-5-16-32(34)41)36-24-23-29(44-43(36)35-19-8-10-20-38(35)45-44)28-22-25-40-37(26-28)30-14-9-11-21-39(30)46-40;1-3-13-29(14-4-1)30-23-25-31(26-24-30)33-27-28-39(43-38-21-11-12-22-40(38)45-44(33)43)42-36-19-9-7-17-34(36)41(32-15-5-2-6-16-32)35-18-8-10-20-37(35)42;1-2-13-28(14-3-1)39-32-16-6-8-18-34(32)40(35-19-9-7-17-33(35)39)37-25-24-31(30-23-22-27-12-4-5-15-29(27)26-30)42-41(37)36-20-10-11-21-38(36)43-42;1-3-11-23(12-4-1)25-19-20-30(31-21-22-35-34(25)31)33-28-17-9-7-15-26(28)32(24-13-5-2-6-14-24)27-16-8-10-18-29(27)33/h3-28H,1-2H3;1-26H;1-28H;1-26H;1-22H
InChIKeySHWCKMGMVFBTOJ-UHFFFAOYSA-N
MW2797.52 g/mol
LogP61.28
Rot. Bonds16

About 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran

4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran (PubChem CID 167663659) has the molecular formula C211H134O4S2 and a molecular weight of 2797.52 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran
PubChem CID167663659
Molecular FormulaC211H134O4S2
Molecular Weight2797.52 g/mol
Exact Mass2794.97
IUPAC Name4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3oc3ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4occc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C47H32O.C44H26OS.C44H28S.C42H26O.C34H22O/c1-47(2)40-22-12-10-16-32(40)33-25-24-30(28-41(33)47)31-26-27-39(45-38-21-11-13-23-42(38)48-46(31)45)44-36-19-8-6-17-34(36)43(29-14-4-3-5-15-29)35-18-7-9-20-37(35)44;1-2-12-27(13-3-1)41-31-15-4-6-17-33(31)42(34-18-7-5-16-32(34)41)36-24-23-29(44-43(36)35-19-8-10-20-38(35)45-44)28-22-25-40-37(26-28)30-14-9-11-21-39(30)46-40;1-3-13-29(14-4-1)30-23-25-31(26-24-30)33-27-28-39(43-38-21-11-12-22-40(38)45-44(33)43)42-36-19-9-7-17-34(36)41(32-15-5-2-6-16-32)35-18-8-10-20-37(35)42;1-2-13-28(14-3-1)39-32-16-6-8-18-34(32)40(35-19-9-7-17-33(35)39)37-25-24-31(30-23-22-27-12-4-5-15-29(27)26-30)42-41(37)36-20-10-11-21-38(36)43-42;1-3-11-23(12-4-1)25-19-20-30(31-21-22-35-34(25)31)33-28-17-9-7-15-26(28)32(24-13-5-2-6-14-24)27-16-8-10-18-29(27)33/h3-28H,1-2H3;1-26H;1-28H;1-26H;1-22H
InChIKeySHWCKMGMVFBTOJ-UHFFFAOYSA-N
XLogP61.28
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms217
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002797.52
LogP ≤ 561.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran with MolForge

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene
CID 167635789
9-[3-(9,9-dimethylfluoren-1-yl)phenyl]-10-naphthalen-2-ylanthracene;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzothiophene;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzothiophene
CID 161193830
4-dibenzofuran-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzofuran
CID 158249190
2,6-bis(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;4-(10-dibenzofuran-4-yl-2-phenylanthracen-9-yl)dibenzofuran;2-(10-dibenzothiophen-2-yl-2-phenylanthracen-9-yl)dibenzothiophene;9,10-dinaphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;10-naphthalen-1-yl-2-phenyl-9-(4-phenylphenyl)anthracene
CID 161341437
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;4-methyl-6-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzothiophene;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 161368408
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran;1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)-9-(3-phenylphenyl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;9-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]carbazole
CID 157296217
9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene;9-[6-(9,9-dimethylfluoren-3-yl)naphthalen-2-yl]-10-phenylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene
CID 163714376
1-naphthalen-2-yl-4-[2-[10-(6-naphthalen-2-yldibenzothiophen-1-yl)-9-phenylanthracen-2-yl]-10-phenylanthracen-9-yl]dibenzofuran
CID 166897097
20-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-3-oxa-24-thiahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 163707379
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 161122993
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
N-(3-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 160760563

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran?
The IUPAC name of 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran (CID 167663659) is 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran.
What is the SMILES notation for 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran?
The canonical SMILES for 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3oc3ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)c4oc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5sc6ccccc6c5c4)c4oc5ccccc5c34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4occc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran?
The InChIKey is SHWCKMGMVFBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O.C44H26OS.C44H28S.C42H26O.C34H22O/c1-47(2)40-22-12-10-16-32(40)33-25-24-30(28-41(33)47)31-26-27-39(45-38-21-11-13-23-42(38)48-46(31)45)44-36-19-8-6-17-34(36)43(29-14-4-3-5-15-29)35-18-7-9-20-37(35)44;1-2-12-27(13-3-1)41-31-15-4-6-17-33(31)42(34-18-7-5-16-32(34)41)36-24-23-29(44-43(36)35-19-8-10-20-38(35)45-44)28-22-25-40-37(26-28)30-14-9-11-21-39(30)46-40;1-3-13-29(14-4-1)30-23-25-31(26-24-30)33-27-28-39(43-38-21-11-12-22-40(38)45-44(33)43)42-36-19-9-7-17-34(36)41(32-15-5-2-6-16-32)35-18-8-10-20-37(35)42;1-2-13-28(14-3-1)39-32-16-6-8-18-34(32)40(35-19-9-7-17-33(35)39)37-25-24-31(30-23-22-27-12-4-5-15-29(27)26-30)42-41(37)36-20-10-11-21-38(36)43-42;1-3-11-23(12-4-1)25-19-20-30(31-21-22-35-34(25)31)33-28-17-9-7-15-26(28)32(24-13-5-2-6-14-24)27-16-8-10-18-29(27)33/h3-28H,1-2H3;1-26H;1-28H;1-26H;1-22H.
What are the key properties of 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran?
4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran has a molecular weight of 2797.52 g/mol, XLogP of 61.28, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;4-(9,9-dimethylfluoren-2-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran;4-naphthalen-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-4-(4-phenylphenyl)dibenzothiophene;7-phenyl-4-(10-phenylanthracen-9-yl)-1-benzofuran is sourced from PubChem (CID 167663659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).