9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene

C47H34 — CID 59195272

IUPAC9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21
InChIInChI=1S/C47H34/c1-47(2)44-19-11-10-17-40(44)42-30-36(24-27-45(42)47)46-41-18-9-8-16-37(41)38(25-20-31-12-4-3-5-13-31)39-26-23-35(29-43(39)46)34-22-21-32-14-6-7-15-33(32)28-34/h3-30H,1-2H3/b25-20+
InChIKeyWJRCKYIMGIEEAM-LKUDQCMESA-N
MW598.79 g/mol
LogP12.96
Rot. Bonds4

About 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene

9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene (PubChem CID 59195272) has the molecular formula C47H34 and a molecular weight of 598.79 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
PubChem CID59195272
Molecular FormulaC47H34
Molecular Weight598.79 g/mol
Exact Mass598.27
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21
InChIInChI=1S/C47H34/c1-47(2)44-19-11-10-17-40(44)42-30-36(24-27-45(42)47)46-41-18-9-8-16-37(41)38(25-20-31-12-4-3-5-13-31)39-26-23-35(29-43(39)46)34-22-21-32-14-6-7-15-33(32)28-34/h3-30H,1-2H3/b25-20+
InChIKeyWJRCKYIMGIEEAM-LKUDQCMESA-N
XLogP12.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.79
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 123220371
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59195552
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
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-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59195394
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
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-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
CID 58963379

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene (CID 59195272) is 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(/C=C/c4ccccc4)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene?
The InChIKey is WJRCKYIMGIEEAM-LKUDQCMESA-N. The full InChI is InChI=1S/C47H34/c1-47(2)44-19-11-10-17-40(44)42-30-36(24-27-45(42)47)46-41-18-9-8-16-37(41)38(25-20-31-12-4-3-5-13-31)39-26-23-35(29-43(39)46)34-22-21-32-14-6-7-15-33(32)28-34/h3-30H,1-2H3/b25-20+.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene?
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene has a molecular weight of 598.79 g/mol, XLogP of 12.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene is sourced from PubChem (CID 59195272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).