4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene

C161H108S — CID 158461612

IUPAC4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene
SMILESCC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H38.C53H36.C51H34S/c1-57(2)53-28-26-40(33-51(53)52-32-38-15-5-6-16-39(38)34-54(52)57)36-17-11-18-42(30-36)55-46-19-7-9-21-48(46)56(49-22-10-8-20-47(49)55)45-24-12-23-43-44(45)27-25-41-29-35-13-3-4-14-37(35)31-50(41)43;1-53(2)49-27-26-38(30-47(49)48-29-36-13-3-4-14-37(36)32-50(48)53)35-15-11-16-39(28-35)51-42-18-7-9-20-44(42)52(45-21-10-8-19-43(45)51)40-25-24-34-23-22-33-12-5-6-17-41(33)46(34)31-40;1-51(2)45-26-25-34(29-43(45)44-28-32-13-3-4-14-33(32)30-46(44)51)31-15-11-16-35(27-31)48-37-18-5-7-20-39(37)49(40-21-8-6-19-38(40)48)42-23-12-22-41-36-17-9-10-24-47(36)52-50(41)42/h3-34H,1-2H3;3-32H,1-2H3;3-30H,1-2H3
InChIKeyHFFZWBVABKPBFI-UHFFFAOYSA-N
MW2074.70 g/mol
LogP45.49
Rot. Bonds9

About 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene

4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene (PubChem CID 158461612) has the molecular formula C161H108S and a molecular weight of 2074.70 g/mol. Its IUPAC name is 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene.

Molecular Properties

Compound Name4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene
PubChem CID158461612
Molecular FormulaC161H108S
Molecular Weight2074.70 g/mol
Exact Mass2072.82
IUPAC Name4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene
SMILESCC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C57H38.C53H36.C51H34S/c1-57(2)53-28-26-40(33-51(53)52-32-38-15-5-6-16-39(38)34-54(52)57)36-17-11-18-42(30-36)55-46-19-7-9-21-48(46)56(49-22-10-8-20-47(49)55)45-24-12-23-43-44(45)27-25-41-29-35-13-3-4-14-37(35)31-50(41)43;1-53(2)49-27-26-38(30-47(49)48-29-36-13-3-4-14-37(36)32-50(48)53)35-15-11-16-39(28-35)51-42-18-7-9-20-44(42)52(45-21-10-8-19-43(45)51)40-25-24-34-23-22-33-12-5-6-17-41(33)46(34)31-40;1-51(2)45-26-25-34(29-43(45)44-28-32-13-3-4-14-33(32)30-46(44)51)31-15-11-16-35(27-31)48-37-18-5-7-20-39(37)49(40-21-8-6-19-38(40)48)42-23-12-22-41-36-17-9-10-24-47(36)52-50(41)42/h3-34H,1-2H3;3-32H,1-2H3;3-30H,1-2H3
InChIKeyHFFZWBVABKPBFI-UHFFFAOYSA-N
XLogP45.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002074.70
LogP ≤ 545.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene with MolForge

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Related Compounds

16,16-dimethyl-20-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-thiahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 167022334
4-[10-(11,11-dimethylbenzo[b]fluoren-3-yl)anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 160549896
4-[10-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724450
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335
22,22-dimethyl-18-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16(21),17,19,23-undecaene
CID 130213425
6-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-3-yl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14,16,18,20,22-undecaene
CID 130191064
11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
CID 156677070
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]dibenzothiophene
CID 59196128
11,11-dimethyl-3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 158758493
2-(10-dibenzothiophen-4-ylanthracen-9-yl)-8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzofuran
CID 121421024
20-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-16,16-dimethyl-10-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 163604832
11,11-dimethyl-3-(10-phenanthren-2-ylanthracen-9-yl)benzo[b]fluorene
CID 140724201

Frequently Asked Questions

What is the IUPAC name of 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
The IUPAC name of 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene (CID 158461612) is 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene.
What is the SMILES notation for 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
The canonical SMILES for 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene is CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccc7ccccc7c6c5)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
The InChIKey is HFFZWBVABKPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38.C53H36.C51H34S/c1-57(2)53-28-26-40(33-51(53)52-32-38-15-5-6-16-39(38)34-54(52)57)36-17-11-18-42(30-36)55-46-19-7-9-21-48(46)56(49-22-10-8-20-47(49)55)45-24-12-23-43-44(45)27-25-41-29-35-13-3-4-14-37(35)31-50(41)43;1-53(2)49-27-26-38(30-47(49)48-29-36-13-3-4-14-37(36)32-50(48)53)35-15-11-16-39(28-35)51-42-18-7-9-20-44(42)52(45-21-10-8-19-43(45)51)40-25-24-34-23-22-33-12-5-6-17-41(33)46(34)31-40;1-51(2)45-26-25-34(29-43(45)44-28-32-13-3-4-14-33(32)30-46(44)51)31-15-11-16-35(27-31)48-37-18-5-7-20-39(37)49(40-21-8-6-19-38(40)48)42-23-12-22-41-36-17-9-10-24-47(36)52-50(41)42/h3-34H,1-2H3;3-32H,1-2H3;3-30H,1-2H3.
What are the key properties of 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene?
4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene has a molecular weight of 2074.70 g/mol, XLogP of 45.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]anthracen-9-yl]dibenzothiophene;11,11-dimethyl-3-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]benzo[b]fluorene is sourced from PubChem (CID 158461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).