9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene

C164H120 — CID 160551765

IUPAC9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
SMILESCC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c([2H])c1[2H]
InChIInChI=1S/C50H38.C41H28.C38H30.C35H24/c1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34;1-27-20-22-28(23-21-27)31-24-25-38-39(26-31)41(35-19-9-13-30-11-3-5-15-33(30)35)37-17-7-6-16-36(37)40(38)34-18-8-12-29-10-2-4-14-32(29)34;1-38(2,3)27-22-23-34-35(24-27)37(31-21-11-15-26-13-5-7-17-29(26)31)33-19-9-8-18-32(33)36(34)30-20-10-14-25-12-4-6-16-28(25)30;1-23-20-21-32-33(22-23)35(29-19-9-13-25-11-3-5-15-27(25)29)31-17-7-6-16-30(31)34(32)28-18-8-12-24-10-2-4-14-26(24)28/h5-30H,1-4H3;2-26H,1H3;4-24H,1-3H3;2-22H,1H3/i5D,6D,7D,14D,15D;;;
InChIKeyQYEAVCGJAJSDPE-NBAXUSJNSA-N
MW2095.79 g/mol
LogP46.09
Rot. Bonds10

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene (PubChem CID 160551765) has the molecular formula C164H120 and a molecular weight of 2095.79 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene.

Molecular Properties

Compound Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
PubChem CID160551765
Molecular FormulaC164H120
Molecular Weight2095.79 g/mol
Exact Mass2093.97
IUPAC Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
SMILESCC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c([2H])c1[2H]
InChIInChI=1S/C50H38.C41H28.C38H30.C35H24/c1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34;1-27-20-22-28(23-21-27)31-24-25-38-39(26-31)41(35-19-9-13-30-11-3-5-15-33(30)35)37-17-7-6-16-36(37)40(38)34-18-8-12-29-10-2-4-14-32(29)34;1-38(2,3)27-22-23-34-35(24-27)37(31-21-11-15-26-13-5-7-17-29(26)31)33-19-9-8-18-32(33)36(34)30-20-10-14-25-12-4-6-16-28(25)30;1-23-20-21-32-33(22-23)35(29-19-9-13-25-11-3-5-15-27(25)29)31-17-7-6-16-30(31)34(32)28-18-8-12-24-10-2-4-14-26(24)28/h5-30H,1-4H3;2-26H,1H3;4-24H,1-3H3;2-22H,1H3/i5D,6D,7D,14D,15D;;;
InChIKeyQYEAVCGJAJSDPE-NBAXUSJNSA-N
XLogP46.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002095.79
LogP ≤ 546.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene with MolForge

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Related Compounds

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 158699412
9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-methylphenyl)anthracene;9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;methane;2-(4-naphthalen-1-ylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 157376156
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-1-ylanthracene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 157305530
2-tert-butyl-9,10-diphenylanthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-methyl-9,10-diphenylanthracene;2-naphthalen-1-yl-9,10-diphenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;2,9,10-triphenylanthracene
CID 162099902
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2,9-diphenyl-10-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenyl-10-(4-phenylphenyl)anthracene
CID 158494678
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene
CID 158706216
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-2-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-(4-methylphenyl)-2-naphthalen-1-ylanthracene
CID 161305898
9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-phenylanthracene;2-tert-butyl-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 160870515
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene;2-(4-naphthalen-1-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;2-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-10-(4-phenylphenyl)anthracene;9-phenyl-2-(10-phenylanthracen-9-yl)-10-(4-phenylphenyl)anthracene
CID 160840181
7-tert-butyl-5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline;7-tert-butyl-10-naphthalen-2-yl-5-phenylbenzo[g]isoquinoline;5-(9,9-dimethylfluoren-2-yl)-7-methyl-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(9,9-dimethylfluoren-2-yl)-7-methyl-10-naphthalen-2-ylbenzo[g]isoquinoline;7-methyl-5-naphthalen-1-yl-10-naphthalen-2-ylbenzo[g]isoquinoline;7-methyl-10-naphthalen-2-yl-5-(4-phenylphenyl)benzo[g]isoquinoline
CID 160787128
2-tert-butyl-9-naphthalen-1-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-9-naphthalen-2-yl-10-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-phenanthren-1-ylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenanthren-1-ylanthracene;7,7-dimethyl-5-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene;9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-phenanthren-2-ylanthracene;6,6,12,12-tetramethyl-2-(10-phenanthren-2-ylanthracen-9-yl)indeno[1,2-b]fluorene;2,6,9-trinaphthalen-2-yl-10-phenanthren-2-ylanthracene
CID 161324797
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene (CID 160551765) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene.
What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene is CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.Cc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3c2)c([2H])c1[2H].
What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
The InChIKey is QYEAVCGJAJSDPE-NBAXUSJNSA-N. The full InChI is InChI=1S/C50H38.C41H28.C38H30.C35H24/c1-49(2)43-20-12-10-16-35(43)37-25-23-33(29-45(37)49)47-39-18-8-9-19-40(39)48(42-28-32(22-27-41(42)47)31-14-6-5-7-15-31)34-24-26-38-36-17-11-13-21-44(36)50(3,4)46(38)30-34;1-27-20-22-28(23-21-27)31-24-25-38-39(26-31)41(35-19-9-13-30-11-3-5-15-33(30)35)37-17-7-6-16-36(37)40(38)34-18-8-12-29-10-2-4-14-32(29)34;1-38(2,3)27-22-23-34-35(24-27)37(31-21-11-15-26-13-5-7-17-29(26)31)33-19-9-8-18-32(33)36(34)30-20-10-14-25-12-4-6-16-28(25)30;1-23-20-21-32-33(22-23)35(29-19-9-13-25-11-3-5-15-27(25)29)31-17-7-6-16-30(31)34(32)28-18-8-12-24-10-2-4-14-26(24)28/h5-30H,1-4H3;2-26H,1H3;4-24H,1-3H3;2-22H,1H3/i5D,6D,7D,14D,15D;;;.
What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene?
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene has a molecular weight of 2095.79 g/mol, XLogP of 46.09, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene is sourced from PubChem (CID 160551765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).