1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

C220H144O2S3 — CID 165083193

IUPAC1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc13)c1ccccc21.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc23)cc1
InChIInChI=1S/C49H32O.3C45H30S.C36H22O/c1-49(2)41-24-12-11-22-37(41)47-32-17-6-5-16-31(32)39(28-42(47)49)46-35-20-9-7-18-33(35)45(34-19-8-10-21-36(34)46)38-23-13-25-43-48(38)40-26-29-14-3-4-15-30(29)27-44(40)50-43;2*1-45(2)37-23-11-9-20-33(37)43-28-15-4-3-14-27(28)36(26-38(43)45)42-31-18-7-5-16-29(31)41(30-17-6-8-19-32(30)42)35-22-13-25-40-44(35)34-21-10-12-24-39(34)46-40;1-45(2)38-26-29(22-23-30(38)37-24-27-12-3-4-13-28(27)25-39(37)45)42-31-14-5-7-16-33(31)43(34-17-8-6-15-32(34)42)36-19-11-21-41-44(36)35-18-9-10-20-40(35)46-41;1-2-11-23(12-3-1)34-26-15-6-8-17-28(26)35(29-18-9-7-16-27(29)34)30-19-10-20-32-36(30)31-21-24-13-4-5-14-25(24)22-33(31)37-32/h3-28H,1-2H3;3*3-26H,1-2H3;1-22H
InChIKeyVLORFCYBFIZGFP-UHFFFAOYSA-N
MW2915.77 g/mol
LogP63.68
Rot. Bonds10

About 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran

1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (PubChem CID 165083193) has the molecular formula C220H144O2S3 and a molecular weight of 2915.77 g/mol. Its IUPAC name is 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
PubChem CID165083193
Molecular FormulaC220H144O2S3
Molecular Weight2915.77 g/mol
Exact Mass2913.03
IUPAC Name1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc13)c1ccccc21.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc23)cc1
InChIInChI=1S/C49H32O.3C45H30S.C36H22O/c1-49(2)41-24-12-11-22-37(41)47-32-17-6-5-16-31(32)39(28-42(47)49)46-35-20-9-7-18-33(35)45(34-19-8-10-21-36(34)46)38-23-13-25-43-48(38)40-26-29-14-3-4-15-30(29)27-44(40)50-43;2*1-45(2)37-23-11-9-20-33(37)43-28-15-4-3-14-27(28)36(26-38(43)45)42-31-18-7-5-16-29(31)41(30-17-6-8-19-32(30)42)35-22-13-25-40-44(35)34-21-10-12-24-39(34)46-40;1-45(2)38-26-29(22-23-30(38)37-24-27-12-3-4-13-28(27)25-39(37)45)42-31-14-5-7-16-33(31)43(34-17-8-6-15-32(34)42)36-19-11-21-41-44(36)35-18-9-10-20-40(35)46-41;1-2-11-23(12-3-1)34-26-15-6-8-17-28(26)35(29-18-9-7-16-27(29)34)30-19-10-20-32-36(30)31-21-24-13-4-5-14-25(24)22-33(31)37-32/h3-28H,1-2H3;3*3-26H,1-2H3;1-22H
InChIKeyVLORFCYBFIZGFP-UHFFFAOYSA-N
XLogP63.68
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms225
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002915.77
LogP ≤ 563.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran with MolForge

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Related Compounds

1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 129174040
6-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712084
11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 160671642
1-[10-(3,3-dimethyl-14-thiahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaen-6-yl)anthracen-9-yl]dibenzofuran
CID 130189975
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
9-(9-dibenzothiophen-1-yldibenzofuran-2-yl)-3-(9,9-dimethylfluoren-2-yl)carbazole
CID 170285565
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
11,11-dimethyl-9-(10-phenylanthracen-9-yl)benzo[a]fluorene;11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157171169
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943
14-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;14-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene;1-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]dibenzofuran;2-[10-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167707159
20-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-17,17-dimethyl-9-thiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18(23),19,21-undecaene
CID 130213446

Frequently Asked Questions

What is the IUPAC name of 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The IUPAC name of 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran (CID 165083193) is 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5sc6ccccc6c45)c4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc13)c1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc4sc5ccccc5c34)c3ccccc13)c1ccccc21.c1ccc(-c2c3ccccc3c(-c3cccc4oc5cc6ccccc6cc5c34)c3ccccc23)cc1.
What is the InChIKey of 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
The InChIKey is VLORFCYBFIZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O.3C45H30S.C36H22O/c1-49(2)41-24-12-11-22-37(41)47-32-17-6-5-16-31(32)39(28-42(47)49)46-35-20-9-7-18-33(35)45(34-19-8-10-21-36(34)46)38-23-13-25-43-48(38)40-26-29-14-3-4-15-30(29)27-44(40)50-43;2*1-45(2)37-23-11-9-20-33(37)43-28-15-4-3-14-27(28)36(26-38(43)45)42-31-18-7-5-16-29(31)41(30-17-6-8-19-32(30)42)35-22-13-25-40-44(35)34-21-10-12-24-39(34)46-40;1-45(2)38-26-29(22-23-30(38)37-24-27-12-3-4-13-28(27)25-39(37)45)42-31-14-5-7-16-33(31)43(34-17-8-6-15-32(34)42)36-19-11-21-41-44(36)35-18-9-10-20-40(35)46-41;1-2-11-23(12-3-1)34-26-15-6-8-17-28(26)35(29-18-9-7-16-27(29)34)30-19-10-20-32-36(30)31-21-24-13-4-5-14-25(24)22-33(31)37-32/h3-28H,1-2H3;3*3-26H,1-2H3;1-22H.
What are the key properties of 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran?
1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran has a molecular weight of 2915.77 g/mol, XLogP of 63.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(11,11-dimethylbenzo[b]fluoren-2-yl)anthracen-9-yl]dibenzothiophene;bis(1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]dibenzothiophene);1-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;1-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 165083193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).