9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene

C46H36 — CID 58590190

IUPAC9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc(-c6ccccc6)c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C46H36/c1-46(2,3)39-26-24-32(25-27-39)44-40-16-7-9-18-42(40)45(43-19-10-8-17-41(43)44)38-23-22-36-29-35(20-21-37(36)30-38)34-15-11-14-33(28-34)31-12-5-4-6-13-31/h4-30H,1-3H3
InChIKeyMTBZBYVSQXQVIT-UHFFFAOYSA-N
MW588.79 g/mol
LogP13.11
Rot. Bonds4

About 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene

9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 58590190) has the molecular formula C46H36 and a molecular weight of 588.79 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
PubChem CID58590190
Molecular FormulaC46H36
Molecular Weight588.79 g/mol
Exact Mass588.28
IUPAC Name9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc(-c6ccccc6)c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C46H36/c1-46(2,3)39-26-24-32(25-27-39)44-40-16-7-9-18-42(40)45(43-19-10-8-17-41(43)44)38-23-22-36-29-35(20-21-37(36)30-38)34-15-11-14-33(28-34)31-12-5-4-6-13-31/h4-30H,1-3H3
InChIKeyMTBZBYVSQXQVIT-UHFFFAOYSA-N
XLogP13.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.79
LogP ≤ 513.11
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

9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
2-[2-(4-tert-butylphenyl)phenyl]-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 23154901
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene (CID 58590190) is 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc(-c6ccccc6)c5)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is MTBZBYVSQXQVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36/c1-46(2,3)39-26-24-32(25-27-39)44-40-16-7-9-18-42(40)45(43-19-10-8-17-41(43)44)38-23-22-36-29-35(20-21-37(36)30-38)34-15-11-14-33(28-34)31-12-5-4-6-13-31/h4-30H,1-3H3.
What are the key properties of 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene has a molecular weight of 588.79 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 58590190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).