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

C151H104 — CID 158758493

IUPAC11,11-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
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C53H36.2C49H34/c1-53(2)49-28-27-36(31-47(49)48-29-33-15-3-4-16-34(33)32-50(48)53)51-42-23-11-13-25-44(42)52(45-26-14-12-24-43(45)51)41-22-10-9-21-40(41)46-30-35-17-5-6-18-37(35)38-19-7-8-20-39(38)46;1-49(2)45-27-26-36(29-43(45)44-28-34-13-3-4-14-35(34)30-46(44)49)48-41-19-9-7-17-39(41)47(40-18-8-10-20-42(40)48)33-24-22-32(23-25-33)38-21-11-15-31-12-5-6-16-37(31)38;1-49(2)45-25-24-38(29-43(45)44-28-34-14-5-6-15-35(34)30-46(44)49)48-41-20-9-7-18-39(41)47(40-19-8-10-21-42(40)48)37-17-11-16-33(27-37)36-23-22-31-12-3-4-13-32(31)26-36/h3-32H,1-2H3;2*3-30H,1-2H3
InChIKeyIOJGZFQIEAUIAR-UHFFFAOYSA-N
MW1918.49 g/mol
LogP41.97
Rot. Bonds9

About 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

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 (PubChem CID 158758493) has the molecular formula C151H104 and a molecular weight of 1918.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,11-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
PubChem CID158758493
Molecular FormulaC151H104
Molecular Weight1918.49 g/mol
Exact Mass1916.81
IUPAC Name11,11-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
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C53H36.2C49H34/c1-53(2)49-28-27-36(31-47(49)48-29-33-15-3-4-16-34(33)32-50(48)53)51-42-23-11-13-25-44(42)52(45-26-14-12-24-43(45)51)41-22-10-9-21-40(41)46-30-35-17-5-6-18-37(35)38-19-7-8-20-39(38)46;1-49(2)45-27-26-36(29-43(45)44-28-34-13-3-4-14-35(34)30-46(44)49)48-41-19-9-7-17-39(41)47(40-18-8-10-20-42(40)48)33-24-22-32(23-25-33)38-21-11-15-31-12-5-6-16-37(31)38;1-49(2)45-25-24-38(29-43(45)44-28-34-14-5-6-15-35(34)30-46(44)49)48-41-20-9-7-18-39(41)47(40-19-8-10-21-42(40)48)37-17-11-16-33(27-37)36-23-22-31-12-3-4-13-32(31)26-36/h3-32H,1-2H3;2*3-30H,1-2H3
InChIKeyIOJGZFQIEAUIAR-UHFFFAOYSA-N
XLogP41.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.49
LogP ≤ 541.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159335184
11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 158156117
11,11-dimethyl-3-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724676
11,11-dimethyl-3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 140724986
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004
9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-3-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 164955701
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-(10-phenylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene;11,11-dimethyl-2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 159999208
11,11-dimethyl-3-(10-phenanthren-2-ylanthracen-9-yl)benzo[b]fluorene
CID 140724201
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
23,23-dimethyl-19-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 140934962
7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
11,11-dimethyl-3-(10-phenanthren-9-ylanthracen-9-yl)benzo[b]fluorene
CID 140724348

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 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?
The InChIKey is IOJGZFQIEAUIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36.2C49H34/c1-53(2)49-28-27-36(31-47(49)48-29-33-15-3-4-16-34(33)32-50(48)53)51-42-23-11-13-25-44(42)52(45-26-14-12-24-43(45)51)41-22-10-9-21-40(41)46-30-35-17-5-6-18-37(35)38-19-7-8-20-39(38)46;1-49(2)45-27-26-36(29-43(45)44-28-34-13-3-4-14-35(34)30-46(44)49)48-41-19-9-7-17-39(41)47(40-18-8-10-20-42(40)48)33-24-22-32(23-25-33)38-21-11-15-31-12-5-6-16-37(31)38;1-49(2)45-25-24-38(29-43(45)44-28-34-14-5-6-15-35(34)30-46(44)49)48-41-20-9-7-18-39(41)47(40-19-8-10-21-42(40)48)37-17-11-16-33(27-37)36-23-22-31-12-3-4-13-32(31)26-36/h3-32H,1-2H3;2*3-30H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1918.49 g/mol, XLogP of 41.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158758493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).