10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene

C49H40 — CID 59196069

IUPAC10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C49H40/c1-48(2,3)37-24-20-32(21-25-37)46-40-15-8-9-16-41(40)47(36-23-26-39-38-14-10-11-17-44(38)49(4,5)45(39)30-36)43-29-35(22-27-42(43)46)34-19-18-31-12-6-7-13-33(31)28-34/h6-30H,1-5H3
InChIKeyJYXMBKVICWGHTR-UHFFFAOYSA-N
MW628.86 g/mol
LogP13.75
Rot. Bonds3

About 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene

10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene (PubChem CID 59196069) has the molecular formula C49H40 and a molecular weight of 628.86 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
PubChem CID59196069
Molecular FormulaC49H40
Molecular Weight628.86 g/mol
Exact Mass628.31
IUPAC Name10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C49H40/c1-48(2,3)37-24-20-32(21-25-37)46-40-15-8-9-16-41(40)47(36-23-26-39-38-14-10-11-17-44(38)49(4,5)45(39)30-36)43-29-35(22-27-42(43)46)34-19-18-31-12-6-7-13-33(31)28-34/h6-30H,1-5H3
InChIKeyJYXMBKVICWGHTR-UHFFFAOYSA-N
XLogP13.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.86
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-[7-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-yl]-10-(2-naphthalen-2-ylphenyl)anthracene
CID 140808444
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene;2-(10-naphthalen-2-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-phenanthren-9-yl-9,10-bis(4-phenylphenyl)anthracene
CID 157129330
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
The IUPAC name of 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene (CID 59196069) is 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene.
What is the SMILES notation for 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
The canonical SMILES for 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.
What is the InChIKey of 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
The InChIKey is JYXMBKVICWGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40/c1-48(2,3)37-24-20-32(21-25-37)46-40-15-8-9-16-41(40)47(36-23-26-39-38-14-10-11-17-44(38)49(4,5)45(39)30-36)43-29-35(22-27-42(43)46)34-19-18-31-12-6-7-13-33(31)28-34/h6-30H,1-5H3.
What are the key properties of 10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene?
10-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene has a molecular weight of 628.86 g/mol, XLogP of 13.75, 3 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-2-ylanthracene is sourced from PubChem (CID 59196069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).