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

C142H110 — CID 161305898

IUPAC10-(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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1.Cc1cc(C)cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C49H40.C47H36.C46H34/c1-48(2,3)35-25-21-32(22-26-35)46-40-17-8-9-18-41(40)47(34-24-27-39-38-16-10-11-20-44(38)49(4,5)45(39)30-34)43-29-33(23-28-42(43)46)37-19-12-14-31-13-6-7-15-36(31)37;1-29-24-30(2)26-34(25-29)46-40-17-8-7-16-39(40)45(33-21-22-38-37-15-9-10-19-43(37)47(3,4)44(38)28-33)42-27-32(20-23-41(42)46)36-18-11-13-31-12-5-6-14-35(31)36;1-29-19-21-31(22-20-29)44-38-15-6-7-16-39(38)45(33-24-25-37-36-14-8-9-18-42(36)46(2,3)43(37)28-33)41-27-32(23-26-40(41)44)35-17-10-12-30-11-4-5-13-34(30)35/h6-30H,1-5H3;5-28H,1-4H3;4-28H,1-3H3
InChIKeyVIFXGIOALMRUAG-UHFFFAOYSA-N
MW1816.44 g/mol
LogP39.58
Rot. Bonds9

About 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

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 (PubChem CID 161305898) has the molecular formula C142H110 and a molecular weight of 1816.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID161305898
Molecular FormulaC142H110
Molecular Weight1816.44 g/mol
Exact Mass1814.86
IUPAC Name10-(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
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1.Cc1cc(C)cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C49H40.C47H36.C46H34/c1-48(2,3)35-25-21-32(22-26-35)46-40-17-8-9-18-41(40)47(34-24-27-39-38-16-10-11-20-44(38)49(4,5)45(39)30-34)43-29-33(23-28-42(43)46)37-19-12-14-31-13-6-7-15-36(31)37;1-29-24-30(2)26-34(25-29)46-40-17-8-7-16-39(40)45(33-21-22-38-37-15-9-10-19-43(37)47(3,4)44(38)28-33)42-27-32(20-23-41(42)46)36-18-11-13-31-12-5-6-14-35(31)36;1-29-19-21-31(22-20-29)44-38-15-6-7-16-39(38)45(33-24-25-37-36-14-8-9-18-42(36)46(2,3)43(37)28-33)41-27-32(23-26-40(41)44)35-17-10-12-30-11-4-5-13-34(30)35/h6-30H,1-5H3;5-28H,1-4H3;4-28H,1-3H3
InChIKeyVIFXGIOALMRUAG-UHFFFAOYSA-N
XLogP39.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001816.44
LogP ≤ 539.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196069
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
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
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
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159207941
9-(4-tert-butylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;9-(3,5-dimethylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-diphenylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-phenyl-10-[10-(3-phenylnaphthalen-2-yl)anthracen-9-yl]anthracene
CID 161005182
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenanthren-9-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-phenylanthracene
CID 159919561
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175514
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1.Cc1cc(C)cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is VIFXGIOALMRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40.C47H36.C46H34/c1-48(2,3)35-25-21-32(22-26-35)46-40-17-8-9-18-41(40)47(34-24-27-39-38-16-10-11-20-44(38)49(4,5)45(39)30-34)43-29-33(23-28-42(43)46)37-19-12-14-31-13-6-7-15-36(31)37;1-29-24-30(2)26-34(25-29)46-40-17-8-7-16-39(40)45(33-21-22-38-37-15-9-10-19-43(37)47(3,4)44(38)28-33)42-27-32(20-23-41(42)46)36-18-11-13-31-12-5-6-14-35(31)36;1-29-19-21-31(22-20-29)44-38-15-6-7-16-39(38)45(33-24-25-37-36-14-8-9-18-42(36)46(2,3)43(37)28-33)41-27-32(23-26-40(41)44)35-17-10-12-30-11-4-5-13-34(30)35/h6-30H,1-5H3;5-28H,1-4H3;4-28H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1816.44 g/mol, XLogP of 39.58, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161305898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).