2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene

C44H34 — CID 59342691

IUPAC2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccccc4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C44H34/c1-44(2,3)37-22-24-39-41(28-37)43(36-20-18-31-14-8-10-16-33(31)26-36)38-23-21-34(29-11-5-4-6-12-29)27-40(38)42(39)35-19-17-30-13-7-9-15-32(30)25-35/h4-28H,1-3H3
InChIKeyUUXBMNSAPCTWTC-UHFFFAOYSA-N
MW562.76 g/mol
LogP12.60
Rot. Bonds3

About 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene

2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene (PubChem CID 59342691) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene.

Molecular Properties

Compound Name2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
PubChem CID59342691
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
SMILESCC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccccc4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C44H34/c1-44(2,3)37-22-24-39-41(28-37)43(36-20-18-31-14-8-10-16-33(31)26-36)38-23-21-34(29-11-5-4-6-12-29)27-40(38)42(39)35-19-17-30-13-7-9-15-32(30)25-35/h4-28H,1-3H3
InChIKeyUUXBMNSAPCTWTC-UHFFFAOYSA-N
XLogP12.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 512.60
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

2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
2-tert-butyl-9-naphthalen-2-yl-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965769
7-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15,17,19,21-undecaene;18-tert-butyl-3,10-dinaphthalen-2-ylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene;7-tert-butyl-3,10-dinaphthalen-2-yl-18-phenylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4(9),5,7,10,12,15(20),16,18,21-undecaene
CID 157104770
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
2-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
25-tert-butyl-21,28-bis(3,5-ditert-butylphenyl)-5,12-dinaphthalen-2-yl-3,8,14-triphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
CID 58282388
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene?
The IUPAC name of 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene (CID 59342691) is 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene.
What is the SMILES notation for 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene?
The canonical SMILES for 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene is CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccccc4)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene?
The InChIKey is UUXBMNSAPCTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-44(2,3)37-22-24-39-41(28-37)43(36-20-18-31-14-8-10-16-33(31)26-36)38-23-21-34(29-11-5-4-6-12-29)27-40(38)42(39)35-19-17-30-13-7-9-15-32(30)25-35/h4-28H,1-3H3.
What are the key properties of 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene?
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene has a molecular weight of 562.76 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene is sourced from PubChem (CID 59342691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).